#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/12/4001281.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4001281
loop_
_publ_author_name
'Ngala, J. Katana'
'Alia, Shaun'
'Dobley, Arthur'
'Crisostomo, Vincent Mark B.'
'Suib, Steven L.'
_publ_section_title
;
 Characterization and Electrocatalytic Behavior of Layered Li2MnO3and Its
 Acid-Treated Form
;
_journal_issue                   2
_journal_name_full               'Chemistry of Materials'
_journal_page_first              229
_journal_paper_doi               10.1021/cm0616937
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Li1.33 Mn0.67 O2'
_chemical_formula_weight         77.88
_chemical_name_systematic        ' ?'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_date             2006-06-04T23:27
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2006-06-04T23:27  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 109.141(15)
_cell_angle_gamma                90.0
_cell_formula_units_Z            6
_cell_length_a                   4.9407(7)
_cell_length_b                   8.5277(6)
_cell_length_c                   5.0184(6)
_cell_volume                     199.75(4)
_computing_structure_refinement  GSAS
_diffrn_detector                 ?'Ge'
_diffrn_measurement_device_type  ?"XDS_Scintag2000"
_diffrn_radiation_polarisn_ratio 0.5
_diffrn_radiation_probe          x-ray
_exptl_absorpt_correction_T_max  0.85614
_exptl_absorpt_correction_T_min  0.38222
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 3
 Surface roughness abs. correction (Suortti)
Terms =     0.22207        0.70000    
Correction is not refined.
;
_pd_block_id
2006-06-04T23:27|LI2MN_S5|Katana_Ngala|xds_scintag2000
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        90.0
_pd_meas_2theta_range_min        10.0
_pd_meas_number_of_points        4001
_pd_phase_name
'from C:/Documents and Settings/John Ngala/My Documents/Refinement/'
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        90.0
_pd_proc_2theta_range_min        10.0
_pd_proc_info_datetime           2006-06-04T23:27:08
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with  6 terms.
 Shifted Chebyshev function of 1st kind
      1:    260.366     2:   -272.660     3:    119.266     4:   -26.1880    
      5:   -16.9489     6:    28.4539    
;
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_ls_profile_function
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Peak tails are ignored  where the intensity is below 0.0050 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.1082
_pd_proc_ls_prof_wR_expected     0.0464
_pd_proc_ls_prof_wR_factor       0.1485
_pd_proc_number_of_points        4001
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   3.20
_refine_ls_matrix_type           full
_refine_ls_number_parameters     7
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.11392
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        1.092
_reflns_d_resolution_low         4.741
_reflns_limit_h_max              4
_reflns_limit_h_min              0
_reflns_limit_k_max              8
_reflns_limit_k_min              0
_reflns_limit_l_max              4
_reflns_limit_l_min              -4
_reflns_number_total             181
_cod_data_source_file            cm0616937si20060720_115543.cif
_cod_data_source_block           LI2MN_S5_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (162
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (937 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4001281
#BEGIN Tags that were not found in dictionaries:
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
-1 -x,-y,-z
-2 +x,-y,+z
101 +x+1/2,+y+1/2,+z
102 -x+1/2,+y+1/2,-z
-101 -x+1/2,-y+1/2,-z
-102 +x+1/2,-y+1/2,+z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Mn Mn1 0.0 0.16369 0.0 0.8 Uiso 0.025 4
Li Li1 0.0 0.5 0.0 0.6 Uiso 0.025 2
Li Li2 0.0 0.0 0.5 1.0 Uiso 0.025 2
Li Li3 0.0 0.69324 0.5 1.0 Uiso 0.025 4
O O1 0.19544 0.0 0.22331 1.0 Uiso 0.025 4
O O2 0.27277 0.31284 0.23333 1.0 Uiso 0.025 8
Mn Mn2 0.0 0.5 0.0 0.4 Uiso 0.025 2
Li Li4 0.0 0.16369 0.0 0.2 Uiso 0.025 4
loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
Mn 4.0 0.000 0.000 11.2819 5.34090 7.35730 0.34320 3.01930 17.8674 2.24410
83.7543 1.08960 International_Tables_Vol_C
Li 8.0 0.000 0.000 1.12820 3.95460 0.75080 1.05240 0.61750 85.3905 0.46530
168.261 0.03770 International_Tables_Vol_C
O 12.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700
32.9089 0.25080 International_Tables_Vol_C
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_type
_diffrn_radiation_wavelength_id
1.540600 1.000 CuK\a~1~ 1
1.544400 0.500 CuK\a~2~ 2
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Li1 Mn1 Li1 121.063(7) 101_445 101_545 n
Li1 Mn1 Li3 118.154(13) 101_445 -1_565 n
Li1 Mn1 Li3 87.616(11) 101_445 -1_566 n
Li1 Mn1 O1 84.858(10) 101_445 1_555 n
Li1 Mn1 O1 49.289(7) 101_445 2_555 n
Li1 Mn1 O2 138.970(6) 101_445 1_555 n
Li1 Mn1 O2 83.693(10) 101_445 2_555 n
Li1 Mn1 O2 138.604(7) 101_445 -101_555 n
Li1 Mn1 O2 49.803(7) 101_445 -102_455 n
Li1 Mn1 Li4 60.532(4) 101_445 -1_555 n
Li1 Mn1 Li3 87.616(11) 101_545 -1_565 n
Li1 Mn1 Li3 118.154(13) 101_545 -1_566 n
Li1 Mn1 O1 49.289(7) 101_545 1_555 n
Li1 Mn1 O1 84.858(10) 101_545 2_555 n
Li1 Mn1 O2 83.693(10) 101_545 1_555 n
Li1 Mn1 O2 138.971(6) 101_545 2_555 n
Li1 Mn1 O2 49.803(7) 101_545 -101_555 n
Li1 Mn1 O2 138.604(7) 101_545 -102_455 n
Li1 Mn1 Li4 60.532(4) 101_545 -1_555 n
Li3 Mn1 Li3 128.138(6) -1_565 -1_566 n
Li3 Mn1 O1 136.081(6) -1_565 1_555 n
Li3 Mn1 O1 86.510(9) -1_565 2_555 n
Li3 Mn1 O2 92.935(11) -1_565 1_555 n
Li3 Mn1 O2 51.383(8) -1_565 2_555 n
Li3 Mn1 O2 38.477(7) -1_565 -101_555 n
Li3 Mn1 O2 133.610(7) -1_565 -102_455 n
Li3 Mn1 Li4 115.9309(31) -1_565 -1_555 n
Li3 Mn1 O1 86.510(9) -1_566 1_555 n
Li3 Mn1 O1 136.081(6) -1_566 2_555 n
Li3 Mn1 O2 51.383(8) -1_566 1_555 n
Li3 Mn1 O2 92.935(11) -1_566 2_555 n
Li3 Mn1 O2 133.610(7) -1_566 -101_555 n
Li3 Mn1 O2 38.477(7) -1_566 -102_455 n
Li3 Mn1 Li4 115.9309(31) -1_566 -1_555 n
O1 Mn1 O1 82.120(12) 1_555 2_555 n
O1 Mn1 O2 90.445(12) 1_555 1_555 n
O1 Mn1 O2 168.5503(14) 1_555 2_555 n
O1 Mn1 O2 99.081(7) 1_555 -101_555 n
O1 Mn1 O2 90.155(7) 1_555 -102_455 n
O1 Mn1 Li4 41.060(6) 1_555 -1_555 n
O1 Mn1 O2 168.5503(14) 2_555 1_555 n
O1 Mn1 O2 90.445(12) 2_555 2_555 n
O1 Mn1 O2 90.155(7) 2_555 -101_555 n
O1 Mn1 O2 99.081(7) 2_555 -102_455 n
O1 Mn1 Li4 41.060(6) 2_555 -1_555 n
O2 Mn1 O2 98.151(12) 1_555 2_555 n
O2 Mn1 O2 82.398(8) 1_555 -101_555 n
O2 Mn1 O2 89.588(8) 1_555 -102_455 n
O2 Mn1 Li4 130.924(6) 1_555 -1_555 n
O2 Mn1 O2 89.588(8) 2_555 -101_555 n
O2 Mn1 O2 82.398(8) 2_555 -102_455 n
O2 Mn1 Li4 130.924(6) 2_555 -1_555 n
O2 Mn1 O2 167.7777(18) -101_555 -102_455 n
O2 Mn1 Li4 96.1111(9) -101_555 -1_555 n
O2 Mn1 Li4 96.1111(9) -102_455 -1_555 n
Mn1 Li1 Mn1 121.063(7) 101_455 101_555 n
Mn1 Li1 Mn1 58.937(7) 101_455 -101_345 n
Mn1 Li1 Mn1 180.0 101_455 -101_445 n
Mn1 Li1 Li2 60.205(9) 101_455 101_454 n
Mn1 Li1 Li2 119.795(9) 101_455 101_555 n
Mn1 Li1 Li3 88.199(11) 101_455 1_554 n
Mn1 Li1 Li3 59.425(12) 101_455 1_555 n
Mn1 Li1 Li3 120.575(12) 101_455 -1_565 n
Mn1 Li1 Li3 91.801(11) 101_455 -1_566 n
Mn1 Li1 O1 40.725(6) 101_455 101_455 n
Mn1 Li1 O1 139.275(6) 101_455 102_555 n
Mn1 Li1 O2 138.522(6) 101_455 1_555 n
Mn1 Li1 O2 88.575(10) 101_455 2_555 n
Mn1 Li1 O2 41.478(6) 101_455 -1_565 n
Mn1 Li1 O2 91.425(10) 101_455 -2_565 n
Mn1 Li1 Li4 119.468(4) 101_455 1_555 n
Mn1 Li1 Li4 60.532(4) 101_455 -1_565 n
Mn1 Li1 Li4 0.0 101_455 101_455 n
Mn1 Li1 Li4 121.063(7) 101_455 101_555 n
Mn1 Li1 Li4 58.937(7) 101_455 -101_455 n
Mn1 Li1 Li4 180.0 101_455 -101_555 n
Mn1 Li1 Mn1 179.972 101_555 -101_345 n
Mn1 Li1 Mn1 58.937(7) 101_555 -101_445 n
Mn1 Li1 Li2 119.795(9) 101_555 101_454 n
Mn1 Li1 Li2 60.205(9) 101_555 101_555 n
Mn1 Li1 Li3 59.425(12) 101_555 1_554 n
Mn1 Li1 Li3 88.199(11) 101_555 1_555 n
Mn1 Li1 Li3 91.801(11) 101_555 -1_565 n
Mn1 Li1 Li3 120.575(12) 101_555 -1_566 n
Mn1 Li1 O1 139.275(6) 101_555 101_455 n
Mn1 Li1 O1 40.725(6) 101_555 102_555 n
Mn1 Li1 O2 88.575(10) 101_555 1_555 n
Mn1 Li1 O2 138.522(6) 101_555 2_555 n
Mn1 Li1 O2 91.425(10) 101_555 -1_565 n
Mn1 Li1 O2 41.478(6) 101_555 -2_565 n
Mn1 Li1 Li4 119.468(4) 101_555 1_555 n
Mn1 Li1 Li4 60.532(4) 101_555 -1_565 n
Mn1 Li1 Li4 121.063(7) 101_555 101_455 n
Mn1 Li1 Li4 0.0 101_555 101_555 n
Mn1 Li1 Li4 179.972 101_555 -101_455 n
Mn1 Li1 Li4 58.937(7) 101_555 -101_555 n
Mn1 Li1 Mn1 121.063(7) -101_345 -101_445 n
Mn1 Li1 Li2 60.205(9) -101_455 101_454 n
Mn1 Li1 Li2 119.795(9) -101_455 101_555 n
Mn1 Li1 Li3 120.575(12) -101_455 1_554 n
Mn1 Li1 Li3 91.801(11) -101_455 1_555 n
Mn1 Li1 Li3 88.199(11) -101_455 -1_565 n
Mn1 Li1 Li3 59.425(12) -101_455 -1_566 n
Mn1 Li1 O1 40.725(6) -101_455 101_455 n
Mn1 Li1 O1 139.275(6) -101_455 102_555 n
Mn1 Li1 O2 91.425(10) -101_455 1_555 n
Mn1 Li1 O2 41.478(6) -101_455 2_555 n
Mn1 Li1 O2 88.575(10) -101_455 -1_565 n
Mn1 Li1 O2 138.522(6) -101_455 -2_565 n
Mn1 Li1 Li4 60.532(4) -101_455 1_555 n
Mn1 Li1 Li4 119.468(4) -101_455 -1_565 n
Mn1 Li1 Li4 58.937(7) -101_455 101_455 n
Mn1 Li1 Li4 179.972 -101_455 101_555 n
Mn1 Li1 Li4 0.0 -101_455 -101_455 n
Mn1 Li1 Li4 121.063(7) -101_455 -101_555 n
Mn1 Li1 Li2 119.795(9) -101_555 101_454 n
Mn1 Li1 Li2 60.205(9) -101_555 101_555 n
Mn1 Li1 Li3 91.801(11) -101_555 1_554 n
Mn1 Li1 Li3 120.575(12) -101_555 1_555 n
Mn1 Li1 Li3 59.425(12) -101_555 -1_565 n
Mn1 Li1 Li3 88.199(11) -101_555 -1_566 n
Mn1 Li1 O1 139.275(6) -101_555 101_455 n
Mn1 Li1 O1 40.725(6) -101_555 102_555 n
Mn1 Li1 O2 41.478(6) -101_555 1_555 n
Mn1 Li1 O2 91.425(10) -101_555 2_555 n
Mn1 Li1 O2 138.522(6) -101_555 -1_565 n
Mn1 Li1 O2 88.575(10) -101_555 -2_565 n
Mn1 Li1 Li4 60.532(4) -101_555 1_555 n
Mn1 Li1 Li4 119.468(4) -101_555 -1_565 n
Mn1 Li1 Li4 180.0 -101_555 101_455 n
Mn1 Li1 Li4 58.937(7) -101_555 101_555 n
Mn1 Li1 Li4 121.063(7) -101_555 -101_455 n
Mn1 Li1 Li4 0.0 -101_555 -101_555 n
Li2 Li1 Li2 179.9802 101_454 101_555 n
Li2 Li1 Li3 60.529(9) 101_454 1_554 n
Li2 Li1 Li3 119.471(9) 101_454 1_555 n
Li2 Li1 Li3 60.528(9) 101_454 -1_565 n
Li2 Li1 Li3 119.471(9) 101_454 -1_566 n
Li2 Li1 O1 84.686(11) 101_454 101_455 n
Li2 Li1 O1 95.314(11) 101_454 102_555 n
Li2 Li1 O2 132.278(6) 101_454 1_555 n
Li2 Li1 O2 47.722(6) 101_454 2_555 n
Li2 Li1 O2 47.722(6) 101_454 -1_565 n
Li2 Li1 O2 132.278(6) 101_454 -2_565 n
Li2 Li1 Li4 90.0 101_454 1_555 n
Li2 Li1 Li4 90.0 101_454 -1_565 n
Li2 Li1 Li4 60.205(9) 101_454 101_455 n
Li2 Li1 Li4 119.795(9) 101_454 101_555 n
Li2 Li1 Li4 60.205(9) 101_454 -101_455 n
Li2 Li1 Li4 119.795(9) 101_454 -101_555 n
Li2 Li1 Li3 119.471(9) 101_555 1_554 n
Li2 Li1 Li3 60.528(9) 101_555 1_555 n
Li2 Li1 Li3 119.471(9) 101_555 -1_565 n
Li2 Li1 Li3 60.529(9) 101_555 -1_566 n
Li2 Li1 O1 95.314(11) 101_555 101_455 n
Li2 Li1 O1 84.686(11) 101_555 102_555 n
Li2 Li1 O2 47.722(6) 101_555 1_555 n
Li2 Li1 O2 132.278(6) 101_555 2_555 n
Li2 Li1 O2 132.278(6) 101_555 -1_565 n
Li2 Li1 O2 47.722(6) 101_555 -2_565 n
Li2 Li1 Li4 90.0 101_555 1_555 n
Li2 Li1 Li4 90.0 101_555 -1_565 n
Li2 Li1 Li4 119.795(9) 101_555 101_455 n
Li2 Li1 Li4 60.205(9) 101_555 101_555 n
Li2 Li1 Li4 119.795(9) 101_555 -101_455 n
Li2 Li1 Li4 60.205(9) 101_555 -101_555 n
Li3 Li1 Li3 113.412(7) 1_554 1_555 n
Li3 Li1 Li3 66.588(7) 1_554 -1_565 n
Li3 Li1 Li3 180.0 1_554 -1_566 n
Li3 Li1 O1 128.848(7) 1_554 101_455 n
Li3 Li1 O1 51.152(7) 1_554 102_555 n
Li3 Li1 O2 133.253(7) 1_554 1_555 n
Li3 Li1 O2 97.067(10) 1_554 2_555 n
Li3 Li1 O2 46.746(7) 1_554 -1_565 n
Li3 Li1 O2 82.933(10) 1_554 -2_565 n
Li3 Li1 Li4 123.294(4) 1_554 1_555 n
Li3 Li1 Li4 56.706(4) 1_554 -1_565 n
Li3 Li1 Li4 88.199(11) 1_554 101_455 n
Li3 Li1 Li4 59.425(12) 1_554 101_555 n
Li3 Li1 Li4 120.575(12) 1_554 -101_455 n
Li3 Li1 Li4 91.801(11) 1_554 -101_555 n
Li3 Li1 Li3 179.972 1_555 -1_565 n
Li3 Li1 Li3 66.588(7) 1_555 -1_566 n
Li3 Li1 O1 51.152(7) 1_555 101_455 n
Li3 Li1 O1 128.848(7) 1_555 102_555 n
Li3 Li1 O2 97.067(10) 1_555 1_555 n
Li3 Li1 O2 133.253(7) 1_555 2_555 n
Li3 Li1 O2 82.933(10) 1_555 -1_565 n
Li3 Li1 O2 46.746(7) 1_555 -2_565 n
Li3 Li1 Li4 123.294(4) 1_555 1_555 n
Li3 Li1 Li4 56.706(4) 1_555 -1_565 n
Li3 Li1 Li4 59.425(12) 1_555 101_455 n
Li3 Li1 Li4 88.199(11) 1_555 101_555 n
Li3 Li1 Li4 91.801(11) 1_555 -101_455 n
Li3 Li1 Li4 120.575(12) 1_555 -101_555 n
Li3 Li1 Li3 113.412(7) -1_565 -1_566 n
Li3 Li1 O1 128.848(7) -1_565 101_455 n
Li3 Li1 O1 51.152(7) -1_565 102_555 n
Li3 Li1 O2 82.933(10) -1_565 1_555 n
Li3 Li1 O2 46.746(7) -1_565 2_555 n
Li3 Li1 O2 97.067(10) -1_565 -1_565 n
Li3 Li1 O2 133.253(7) -1_565 -2_565 n
Li3 Li1 Li4 56.706(4) -1_565 1_555 n
Li3 Li1 Li4 123.294(4) -1_565 -1_565 n
Li3 Li1 Li4 120.575(12) -1_565 101_455 n
Li3 Li1 Li4 91.801(11) -1_565 101_555 n
Li3 Li1 Li4 88.199(11) -1_565 -101_455 n
Li3 Li1 Li4 59.425(12) -1_565 -101_555 n
Li3 Li1 O1 51.152(7) -1_566 101_455 n
Li3 Li1 O1 128.848(7) -1_566 102_555 n
Li3 Li1 O2 46.746(7) -1_566 1_555 n
Li3 Li1 O2 82.933(10) -1_566 2_555 n
Li3 Li1 O2 133.253(7) -1_566 -1_565 n
Li3 Li1 O2 97.067(10) -1_566 -2_565 n
Li3 Li1 Li4 56.706(4) -1_566 1_555 n
Li3 Li1 Li4 123.294(4) -1_566 -1_565 n
Li3 Li1 Li4 91.801(11) -1_566 101_455 n
Li3 Li1 Li4 120.575(12) -1_566 101_555 n
Li3 Li1 Li4 59.425(12) -1_566 -101_455 n
Li3 Li1 Li4 88.199(11) -1_566 -101_555 n
O1 Li1 O1 179.9802 101_455 102_555 n
O1 Li1 O2 97.805(7) 101_455 1_555 n
O1 Li1 O2 82.195(7) 101_455 2_555 n
O1 Li1 O2 82.195(7) 101_455 -1_565 n
O1 Li1 O2 97.805(7) 101_455 -2_565 n
O1 Li1 Li4 90.0 101_455 1_555 n
O1 Li1 Li4 90.0 101_455 -1_565 n
O1 Li1 Li4 40.725(6) 101_455 101_455 n
O1 Li1 Li4 139.275(6) 101_455 101_555 n
O1 Li1 Li4 40.725(6) 101_455 -101_455 n
O1 Li1 Li4 139.275(6) 101_455 -101_555 n
O1 Li1 O2 82.195(7) 102_555 1_555 n
O1 Li1 O2 97.805(7) 102_555 2_555 n
O1 Li1 O2 97.805(7) 102_555 -1_565 n
O1 Li1 O2 82.195(7) 102_555 -2_565 n
O1 Li1 Li4 90.0 102_555 1_555 n
O1 Li1 Li4 90.0 102_555 -1_565 n
O1 Li1 Li4 139.275(6) 102_555 101_455 n
O1 Li1 Li4 40.725(6) 102_555 101_555 n
O1 Li1 Li4 139.275(6) 102_555 -101_455 n
O1 Li1 Li4 40.725(6) 102_555 -101_555 n
O2 Li1 O2 85.182(12) 1_555 2_555 n
O2 Li1 O2 180.0 1_555 -1_565 n
O2 Li1 O2 94.818(12) 1_555 -2_565 n
O2 Li1 Li4 42.591(6) 1_555 1_555 n
O2 Li1 Li4 137.409(6) 1_555 -1_565 n
O2 Li1 Li4 138.522(6) 1_555 101_455 n
O2 Li1 Li4 88.575(10) 1_555 101_555 n
O2 Li1 Li4 91.425(10) 1_555 -101_455 n
O2 Li1 Li4 41.478(6) 1_555 -101_555 n
O2 Li1 O2 94.818(12) 2_555 -1_565 n
O2 Li1 O2 180.0 2_555 -2_565 n
O2 Li1 Li4 42.591(6) 2_555 1_555 n
O2 Li1 Li4 137.409(6) 2_555 -1_565 n
O2 Li1 Li4 88.575(10) 2_555 101_455 n
O2 Li1 Li4 138.522(6) 2_555 101_555 n
O2 Li1 Li4 41.478(6) 2_555 -101_455 n
O2 Li1 Li4 91.425(10) 2_555 -101_555 n
O2 Li1 O2 85.182(12) -1_565 -2_565 n
O2 Li1 Li4 137.409(6) -1_565 1_555 n
O2 Li1 Li4 42.591(6) -1_565 -1_565 n
O2 Li1 Li4 41.478(6) -1_565 101_455 n
O2 Li1 Li4 91.425(10) -1_565 101_555 n
O2 Li1 Li4 88.575(10) -1_565 -101_455 n
O2 Li1 Li4 138.522(6) -1_565 -101_555 n
O2 Li1 Li4 137.409(6) -2_565 1_555 n
O2 Li1 Li4 42.591(6) -2_565 -1_565 n
O2 Li1 Li4 91.425(10) -2_565 101_455 n
O2 Li1 Li4 41.478(6) -2_565 101_555 n
O2 Li1 Li4 138.522(6) -2_565 -101_455 n
O2 Li1 Li4 88.575(10) -2_565 -101_555 n
Li4 Li1 Li4 180.0 1_555 -1_565 n
Li4 Li1 Li4 119.468(4) 1_555 101_455 n
Li4 Li1 Li4 119.468(4) 1_555 101_555 n
Li4 Li1 Li4 60.532(4) 1_555 -101_455 n
Li4 Li1 Li4 60.532(4) 1_555 -101_555 n
Li4 Li1 Li4 60.532(4) -1_565 101_455 n
Li4 Li1 Li4 60.532(4) -1_565 101_555 n
Li4 Li1 Li4 119.468(4) -1_565 -101_455 n
Li4 Li1 Li4 119.468(4) -1_565 -101_555 n
Li4 Li1 Li4 121.063(7) 101_455 101_555 n
Li4 Li1 Li4 58.937(7) 101_455 -101_455 n
Li4 Li1 Li4 180.0 101_455 -101_555 n
Li4 Li1 Li4 179.972 101_555 -101_455 n
Li4 Li1 Li4 58.937(7) 101_555 -101_555 n
Li4 Li1 Li4 121.063(7) -101_455 -101_555 n
Li1 Li2 Li1 179.9802 101_445 101_546 n
Li1 Li2 Li3 90.0 101_445 1_545 n
Li1 Li2 Li3 90.0 101_445 -1_566 n
Li1 Li2 Li3 61.654(9) 101_445 101_445 n
Li1 Li2 Li3 118.346(9) 101_445 101_545 n
Li1 Li2 Li3 61.654(9) 101_445 -101_456 n
Li1 Li2 Li3 118.346(9) 101_445 -101_556 n
Li1 Li2 O1 82.088(11) 101_445 1_555 n
Li1 Li2 O1 97.912(11) 101_445 2_556 n
Li1 Li2 O2 48.313(6) 101_445 101_445 n
Li1 Li2 O2 131.687(6) 101_445 102_546 n
Li1 Li2 O2 131.687(6) 101_445 -101_556 n
Li1 Li2 O2 48.313(6) 101_445 -102_455 n
Li1 Li2 Li4 59.045(9) 101_445 1_555 n
Li1 Li2 Li4 120.955(9) 101_445 1_556 n
Li1 Li2 Li4 59.045(9) 101_445 -1_555 n
Li1 Li2 Li4 120.955(9) 101_445 -1_556 n
Li1 Li2 Li3 90.0 101_546 1_545 n
Li1 Li2 Li3 90.0 101_546 -1_566 n
Li1 Li2 Li3 118.346(9) 101_546 101_445 n
Li1 Li2 Li3 61.654(9) 101_546 101_545 n
Li1 Li2 Li3 118.346(9) 101_546 -101_456 n
Li1 Li2 Li3 61.654(9) 101_546 -101_556 n
Li1 Li2 O1 97.912(11) 101_546 1_555 n
Li1 Li2 O1 82.088(11) 101_546 2_556 n
Li1 Li2 O2 131.687(6) 101_546 101_445 n
Li1 Li2 O2 48.313(6) 101_546 102_546 n
Li1 Li2 O2 48.313(6) 101_546 -101_556 n
Li1 Li2 O2 131.687(6) 101_546 -102_455 n
Li1 Li2 Li4 120.955(9) 101_546 1_555 n
Li1 Li2 Li4 59.045(9) 101_546 1_556 n
Li1 Li2 Li4 120.955(9) 101_546 -1_555 n
Li1 Li2 Li4 59.045(9) 101_546 -1_556 n
Li3 Li2 Li3 180.0 1_545 -1_566 n
Li3 Li2 Li3 123.705(4) 1_545 101_445 n
Li3 Li2 Li3 123.705(4) 1_545 101_545 n
Li3 Li2 Li3 56.294(4) 1_545 -101_456 n
Li3 Li2 Li3 56.294(4) 1_545 -101_556 n
Li3 Li2 O1 90.0 1_545 1_555 n
Li3 Li2 O1 90.0 1_545 2_556 n
Li3 Li2 O2 42.007(6) 1_545 101_445 n
Li3 Li2 O2 42.007(6) 1_545 102_546 n
Li3 Li2 O2 137.993(6) 1_545 -101_556 n
Li3 Li2 O2 137.993(6) 1_545 -102_455 n
Li3 Li2 Li4 119.0872(33) 1_545 1_555 n
Li3 Li2 Li4 119.0872(33) 1_545 1_556 n
Li3 Li2 Li4 60.9127(33) 1_545 -1_555 n
Li3 Li2 Li4 60.9127(33) 1_545 -1_556 n
Li3 Li2 Li3 56.294(4) -1_566 101_445 n
Li3 Li2 Li3 56.294(4) -1_566 101_545 n
Li3 Li2 Li3 123.705(4) -1_566 -101_456 n
Li3 Li2 Li3 123.705(4) -1_566 -101_556 n
Li3 Li2 O1 90.0 -1_566 1_555 n
Li3 Li2 O1 90.0 -1_566 2_556 n
Li3 Li2 O2 137.993(6) -1_566 101_445 n
Li3 Li2 O2 137.993(6) -1_566 102_546 n
Li3 Li2 O2 42.007(6) -1_566 -101_556 n
Li3 Li2 O2 42.007(6) -1_566 -102_455 n
Li3 Li2 Li4 60.9127(33) -1_566 1_555 n
Li3 Li2 Li4 60.9127(33) -1_566 1_556 n
Li3 Li2 Li4 119.0872(33) -1_566 -1_555 n
Li3 Li2 Li4 119.0872(33) -1_566 -1_556 n
Li3 Li2 Li3 112.589(8) 101_445 101_545 n
Li3 Li2 Li3 67.411(8) 101_445 -101_456 n
Li3 Li2 Li3 179.972 101_445 -101_556 n
Li3 Li2 O1 127.679(8) 101_445 1_555 n
Li3 Li2 O1 52.321(8) 101_445 2_556 n
Li3 Li2 O2 98.480(11) 101_445 101_445 n
Li3 Li2 O2 132.627(7) 101_445 102_546 n
Li3 Li2 O2 81.520(11) 101_445 -101_556 n
Li3 Li2 O2 47.373(7) 101_445 -102_455 n
Li3 Li2 Li4 88.200(11) 101_445 1_555 n
Li3 Li2 Li4 59.460(12) 101_445 1_556 n
Li3 Li2 Li4 120.540(12) 101_445 -1_555 n
Li3 Li2 Li4 91.800(11) 101_445 -1_556 n
Li3 Li2 Li3 179.9802 101_545 -101_456 n
Li3 Li2 Li3 67.411(8) 101_545 -101_556 n
Li3 Li2 O1 52.321(8) 101_545 1_555 n
Li3 Li2 O1 127.679(8) 101_545 2_556 n
Li3 Li2 O2 132.627(7) 101_545 101_445 n
Li3 Li2 O2 98.480(11) 101_545 102_546 n
Li3 Li2 O2 47.373(7) 101_545 -101_556 n
Li3 Li2 O2 81.520(11) 101_545 -102_455 n
Li3 Li2 Li4 59.460(12) 101_545 1_555 n
Li3 Li2 Li4 88.200(11) 101_545 1_556 n
Li3 Li2 Li4 91.800(11) 101_545 -1_555 n
Li3 Li2 Li4 120.540(12) 101_545 -1_556 n
Li3 Li2 Li3 112.589(8) -101_456 -101_556 n
Li3 Li2 O1 127.679(8) -101_456 1_555 n
Li3 Li2 O1 52.321(8) -101_456 2_556 n
Li3 Li2 O2 47.373(7) -101_456 101_445 n
Li3 Li2 O2 81.520(11) -101_456 102_546 n
Li3 Li2 O2 132.627(7) -101_456 -101_556 n
Li3 Li2 O2 98.480(11) -101_456 -102_455 n
Li3 Li2 Li4 120.540(12) -101_456 1_555 n
Li3 Li2 Li4 91.800(11) -101_456 1_556 n
Li3 Li2 Li4 88.200(11) -101_456 -1_555 n
Li3 Li2 Li4 59.460(12) -101_456 -1_556 n
Li3 Li2 O1 52.321(8) -101_556 1_555 n
Li3 Li2 O1 127.679(8) -101_556 2_556 n
Li3 Li2 O2 81.520(11) -101_556 101_445 n
Li3 Li2 O2 47.373(7) -101_556 102_546 n
Li3 Li2 O2 98.480(11) -101_556 -101_556 n
Li3 Li2 O2 132.627(7) -101_556 -102_455 n
Li3 Li2 Li4 91.800(11) -101_556 1_555 n
Li3 Li2 Li4 120.540(12) -101_556 1_556 n
Li3 Li2 Li4 59.460(12) -101_556 -1_555 n
Li3 Li2 Li4 88.200(11) -101_556 -1_556 n
O1 Li2 O1 179.9802 1_555 2_556 n
O1 Li2 O2 80.483(7) 1_555 101_445 n
O1 Li2 O2 99.517(7) 1_555 102_546 n
O1 Li2 O2 99.517(7) 1_555 -101_556 n
O1 Li2 O2 80.483(7) 1_555 -102_455 n
O1 Li2 Li4 39.597(5) 1_555 1_555 n
O1 Li2 Li4 140.403(5) 1_555 1_556 n
O1 Li2 Li4 39.597(5) 1_555 -1_555 n
O1 Li2 Li4 140.403(5) 1_555 -1_556 n
O1 Li2 O2 99.517(7) 2_556 101_445 n
O1 Li2 O2 80.483(7) 2_556 102_546 n
O1 Li2 O2 80.483(7) 2_556 -101_556 n
O1 Li2 O2 99.517(7) 2_556 -102_455 n
O1 Li2 Li4 140.403(5) 2_556 1_555 n
O1 Li2 Li4 39.597(5) 2_556 1_556 n
O1 Li2 Li4 140.403(5) 2_556 -1_555 n
O1 Li2 Li4 39.597(5) 2_556 -1_556 n
O2 Li2 O2 84.014(12) 101_445 102_546 n
O2 Li2 O2 180.0 101_445 -101_556 n
O2 Li2 O2 95.986(12) 101_445 -102_455 n
O2 Li2 Li4 88.081(9) 101_445 1_555 n
O2 Li2 Li4 139.108(6) 101_445 1_556 n
O2 Li2 Li4 40.892(6) 101_445 -1_555 n
O2 Li2 Li4 91.919(9) 101_445 -1_556 n
O2 Li2 O2 95.986(12) 102_546 -101_556 n
O2 Li2 O2 180.0 102_546 -102_455 n
O2 Li2 Li4 139.108(6) 102_546 1_555 n
O2 Li2 Li4 88.081(9) 102_546 1_556 n
O2 Li2 Li4 91.919(9) 102_546 -1_555 n
O2 Li2 Li4 40.892(6) 102_546 -1_556 n
O2 Li2 O2 84.014(12) -101_556 -102_455 n
O2 Li2 Li4 91.919(9) -101_556 1_555 n
O2 Li2 Li4 40.892(6) -101_556 1_556 n
O2 Li2 Li4 139.108(6) -101_556 -1_555 n
O2 Li2 Li4 88.081(9) -101_556 -1_556 n
O2 Li2 Li4 40.892(6) -102_455 1_555 n
O2 Li2 Li4 91.919(9) -102_455 1_556 n
O2 Li2 Li4 88.081(9) -102_455 -1_555 n
O2 Li2 Li4 139.108(6) -102_455 -1_556 n
Li4 Li2 Li4 121.826(7) 1_555 1_556 n
Li4 Li2 Li4 58.174(7) 1_555 -1_555 n
Li4 Li2 Li4 179.972 1_555 -1_556 n
Li4 Li2 Li4 179.9802 1_556 -1_555 n
Li4 Li2 Li4 58.174(7) 1_556 -1_556 n
Li4 Li2 Li4 121.826(7) -1_555 -1_556 n
Mn1 Li3 Mn1 128.138(6) -1_565 -1_566 n
Mn1 Li3 Li1 59.225(7) -1_565 1_555 n
Mn1 Li3 Li1 172.6367(5) -1_565 1_556 n
Mn1 Li3 Li2 64.0691(31) -1_565 1_565 n
Mn1 Li3 Li2 119.207(12) -1_565 101_455 n
Mn1 Li3 Li2 89.848(11) -1_565 101_555 n
Mn1 Li3 Li3 96.604(12) -1_565 -101_466 n
Mn1 Li3 Li3 64.272(13) -1_565 -101_566 n
Mn1 Li3 O1 87.943(10) -1_565 101_455 n
Mn1 Li3 O1 130.415(7) -1_565 102_556 n
Mn1 Li3 O2 137.872(7) -1_565 -1_566 n
Mn1 Li3 O2 43.869(7) -1_565 -2_565 n
Mn1 Li3 O2 41.576(7) -1_565 101_455 n
Mn1 Li3 O2 104.003(9) -1_565 102_556 n
Mn1 Li3 Li4 0.0 -1_565 -1_565 n
Mn1 Li3 Li4 128.138(6) -1_565 -1_566 n
Mn1 Li3 Li4 60.705(9) -1_565 101_455 n
Mn1 Li3 Li4 124.427(9) -1_565 101_556 n
Mn1 Li3 Li1 172.6367(5) -1_566 1_555 n
Mn1 Li3 Li1 59.225(7) -1_566 1_556 n
Mn1 Li3 Li2 64.0691(31) -1_566 1_565 n
Mn1 Li3 Li2 89.848(11) -1_566 101_455 n
Mn1 Li3 Li2 119.207(12) -1_566 101_555 n
Mn1 Li3 Li3 64.272(13) -1_566 -101_466 n
Mn1 Li3 Li3 96.604(12) -1_566 -101_566 n
Mn1 Li3 O1 130.415(7) -1_566 101_455 n
Mn1 Li3 O1 87.943(10) -1_566 102_556 n
Mn1 Li3 O2 43.869(7) -1_566 -1_566 n
Mn1 Li3 O2 137.872(7) -1_566 -2_565 n
Mn1 Li3 O2 104.003(9) -1_566 101_455 n
Mn1 Li3 O2 41.576(7) -1_566 102_556 n
Mn1 Li3 Li4 128.138(6) -1_566 -1_565 n
Mn1 Li3 Li4 0.0 -1_566 -1_566 n
Mn1 Li3 Li4 124.427(9) -1_566 101_455 n
Mn1 Li3 Li4 60.705(9) -1_566 101_556 n
Li1 Li3 Li1 113.412(7) 1_555 1_556 n
Li1 Li3 Li2 123.294(4) 1_555 1_565 n
Li1 Li3 Li2 85.606(10) 1_555 101_455 n
Li1 Li3 Li2 57.818(12) 1_555 101_555 n
Li1 Li3 Li3 117.095(12) 1_555 -101_466 n
Li1 Li3 Li3 86.854(11) 1_555 -101_566 n
Li1 Li3 O1 45.383(7) 1_555 101_455 n
Li1 Li3 O1 86.191(10) 1_555 102_556 n
Li1 Li3 O2 131.811(7) 1_555 -1_566 n
Li1 Li3 O2 46.156(6) 1_555 -2_565 n
Li1 Li3 O2 81.812(10) 1_555 101_455 n
Li1 Li3 O2 141.056(6) 1_555 102_556 n
Li1 Li3 Li4 59.225(7) 1_555 -1_565 n
Li1 Li3 Li4 172.6367(5) 1_555 -1_566 n
Li1 Li3 Li4 57.462(8) 1_555 101_455 n
Li1 Li3 Li4 116.256(9) 1_555 101_556 n
Li1 Li3 Li2 123.294(4) 1_556 1_565 n
Li1 Li3 Li2 57.818(12) 1_556 101_455 n
Li1 Li3 Li2 85.606(10) 1_556 101_555 n
Li1 Li3 Li3 86.854(11) 1_556 -101_466 n
Li1 Li3 Li3 117.095(12) 1_556 -101_566 n
Li1 Li3 O1 86.191(10) 1_556 101_455 n
Li1 Li3 O1 45.383(7) 1_556 102_556 n
Li1 Li3 O2 46.156(6) 1_556 -1_566 n
Li1 Li3 O2 131.811(7) 1_556 -2_565 n
Li1 Li3 O2 141.056(6) 1_556 101_455 n
Li1 Li3 O2 81.812(10) 1_556 102_556 n
Li1 Li3 Li4 172.6367(5) 1_556 -1_565 n
Li1 Li3 Li4 59.225(7) 1_556 -1_566 n
Li1 Li3 Li4 116.256(9) 1_556 101_455 n
Li1 Li3 Li4 57.462(8) 1_556 101_556 n
Li2 Li3 Li2 123.705(4) 1_565 101_455 n
Li2 Li3 Li2 123.705(4) 1_565 101_555 n
Li2 Li3 Li3 68.6010(30) 1_565 -101_466 n
Li2 Li3 Li3 68.6010(30) 1_565 -101_566 n
Li2 Li3 O1 134.448(6) 1_565 101_455 n
Li2 Li3 O1 134.448(6) 1_565 102_556 n
Li2 Li3 O2 91.35800(20) 1_565 -1_566 n
Li2 Li3 O2 91.35800(20) 1_565 -2_565 n
Li2 Li3 O2 54.641(6) 1_565 101_455 n
Li2 Li3 O2 54.641(6) 1_565 102_556 n
Li2 Li3 Li4 64.0691(31) 1_565 -1_565 n
Li2 Li3 Li4 64.0691(31) 1_565 -1_566 n
Li2 Li3 Li4 94.9888(11) 1_565 101_455 n
Li2 Li3 Li4 94.9888(11) 1_565 101_556 n
Li2 Li3 Li2 112.589(8) 101_455 101_555 n
Li2 Li3 Li3 55.105(7) 101_455 -101_466 n
Li2 Li3 Li3 167.6934(11) 101_455 -101_566 n
Li2 Li3 O1 40.572(6) 101_455 101_455 n
Li2 Li3 O1 88.992(10) 101_455 102_556 n
Li2 Li3 O2 46.210(7) 101_455 -1_566 n
Li2 Li3 O2 131.737(7) 101_455 -2_565 n
Li2 Li3 O2 89.905(11) 101_455 101_455 n
Li2 Li3 O2 130.085(8) 101_455 102_556 n
Li2 Li3 Li4 119.207(12) 101_455 -1_565 n
Li2 Li3 Li4 89.848(11) 101_455 -1_566 n
Li2 Li3 Li4 58.583(9) 101_455 101_455 n
Li2 Li3 Li4 115.134(9) 101_455 101_556 n
Li2 Li3 Li3 167.6934(11) 101_555 -101_466 n
Li2 Li3 Li3 55.105(7) 101_555 -101_566 n
Li2 Li3 O1 88.992(10) 101_555 101_455 n
Li2 Li3 O1 40.572(6) 101_555 102_556 n
Li2 Li3 O2 131.737(7) 101_555 -1_566 n
Li2 Li3 O2 46.210(7) 101_555 -2_565 n
Li2 Li3 O2 130.085(8) 101_555 101_455 n
Li2 Li3 O2 89.905(11) 101_555 102_556 n
Li2 Li3 Li4 89.848(11) 101_555 -1_565 n
Li2 Li3 Li4 119.207(12) 101_555 -1_566 n
Li2 Li3 Li4 115.134(9) 101_555 101_455 n
Li2 Li3 Li4 58.583(9) 101_555 101_556 n
Li3 Li3 Li3 137.202(6) -101_466 -101_566 n
Li3 Li3 O1 80.809(10) -101_466 101_455 n
Li3 Li3 O1 132.123(7) -101_466 102_556 n
Li3 Li3 O2 41.311(7) -101_466 -1_566 n
Li3 Li3 O2 140.213(7) -101_466 -2_565 n
Li3 Li3 O2 55.081(9) -101_466 101_455 n
Li3 Li3 O2 98.634(11) -101_466 102_556 n
Li3 Li3 Li4 96.604(12) -101_466 -1_565 n
Li3 Li3 Li4 64.272(13) -101_466 -1_566 n
Li3 Li3 Li4 60.155(10) -101_466 101_455 n
Li3 Li3 Li4 124.132(10) -101_466 101_556 n
Li3 Li3 O1 132.123(7) -101_566 101_455 n
Li3 Li3 O1 80.809(10) -101_566 102_556 n
Li3 Li3 O2 140.213(7) -101_566 -1_566 n
Li3 Li3 O2 41.311(7) -101_566 -2_565 n
Li3 Li3 O2 98.634(11) -101_566 101_455 n
Li3 Li3 O2 55.081(9) -101_566 102_556 n
Li3 Li3 Li4 64.272(13) -101_566 -1_565 n
Li3 Li3 Li4 96.604(12) -101_566 -1_566 n
Li3 Li3 Li4 124.132(10) -101_566 101_455 n
Li3 Li3 Li4 60.155(10) -101_566 101_556 n
O1 Li3 O1 91.104(12) 101_455 102_556 n
O1 Li3 O2 86.641(8) 101_455 -1_566 n
O1 Li3 O2 91.456(8) 101_455 -2_565 n
O1 Li3 O2 80.347(12) 101_455 101_455 n
O1 Li3 O2 168.0012(15) 101_455 102_556 n
O1 Li3 Li4 87.943(10) 101_455 -1_565 n
O1 Li3 Li4 130.415(7) 101_455 -1_566 n
O1 Li3 Li4 39.604(5) 101_455 101_455 n
O1 Li3 Li4 130.442(7) 101_455 101_556 n
O1 Li3 O2 91.456(8) 102_556 -1_566 n
O1 Li3 O2 86.641(8) 102_556 -2_565 n
O1 Li3 O2 168.0012(15) 102_556 101_455 n
O1 Li3 O2 80.347(12) 102_556 102_556 n
O1 Li3 Li4 130.415(7) 102_556 -1_565 n
O1 Li3 Li4 87.943(10) 102_556 -1_566 n
O1 Li3 Li4 130.442(7) 102_556 101_455 n
O1 Li3 Li4 39.604(5) 102_556 101_556 n
O2 Li3 O2 177.2839(4) -1_566 -2_565 n
O2 Li3 O2 96.392(9) -1_566 101_455 n
O2 Li3 O2 85.187(9) -1_566 102_556 n
O2 Li3 Li4 137.872(7) -1_566 -1_565 n
O2 Li3 Li4 43.869(7) -1_566 -1_566 n
O2 Li3 Li4 90.365(11) -1_566 101_455 n
O2 Li3 Li4 89.399(11) -1_566 101_556 n
O2 Li3 O2 85.187(9) -2_565 101_455 n
O2 Li3 O2 96.392(9) -2_565 102_556 n
O2 Li3 Li4 43.869(7) -2_565 -1_565 n
O2 Li3 Li4 137.872(7) -2_565 -1_566 n
O2 Li3 Li4 89.399(11) -2_565 101_455 n
O2 Li3 Li4 90.365(11) -2_565 101_556 n
O2 Li3 O2 109.282(11) 101_455 102_556 n
O2 Li3 Li4 41.576(7) 101_455 -1_565 n
O2 Li3 Li4 104.003(9) 101_455 -1_566 n
O2 Li3 Li4 40.793(7) 101_455 101_455 n
O2 Li3 Li4 149.062(5) 101_455 101_556 n
O2 Li3 Li4 104.003(9) 102_556 -1_565 n
O2 Li3 Li4 41.576(7) 102_556 -1_566 n
O2 Li3 Li4 149.062(5) 102_556 101_455 n
O2 Li3 Li4 40.793(7) 102_556 101_556 n
Li4 Li3 Li4 128.138(6) -1_565 -1_566 n
Li4 Li3 Li4 60.705(9) -1_565 101_455 n
Li4 Li3 Li4 124.427(9) -1_565 101_556 n
Li4 Li3 Li4 124.427(9) -1_566 101_455 n
Li4 Li3 Li4 60.705(9) -1_566 101_556 n
Li4 Li3 Li4 170.0223(21) 101_455 101_556 n
Mn1 O1 Mn1 97.880(12) 1_555 -1_555 n
Mn1 O1 Li1 89.987(7) 1_555 101_545 n
Mn1 O1 Li2 98.657(7) 1_555 1_555 n
Mn1 O1 Li3 86.266(12) 1_555 101_545 n
Mn1 O1 Li3 172.2663(11) 1_555 -101_556 n
Mn1 O1 Mn2 89.987(7) 1_555 101_545 n
Mn1 O1 Li4 0.0 1_555 1_555 n
Mn1 O1 Li4 97.880(12) 1_555 -1_555 n
Mn1 O1 Li1 89.987(7) -1_555 101_545 n
Mn1 O1 Li2 98.657(7) -1_555 1_555 n
Mn1 O1 Li3 172.2663(11) -1_555 101_545 n
Mn1 O1 Li3 86.266(12) -1_555 -101_556 n
Mn1 O1 Mn2 89.987(7) -1_555 101_545 n
Mn1 O1 Li4 97.880(12) -1_555 1_555 n
Mn1 O1 Li4 0.0 -1_555 -1_555 n
Li1 O1 Li2 166.773(4) 101_545 1_555 n
Li1 O1 Li3 83.465(8) 101_545 101_545 n
Li1 O1 Li3 83.465(8) 101_545 -101_556 n
Li1 O1 Mn2 0.0 101_545 101_545 n
Li1 O1 Li4 89.987(7) 101_545 1_555 n
Li1 O1 Li4 89.987(7) 101_545 -1_555 n
Li2 O1 Li3 87.108(8) 1_555 101_545 n
Li2 O1 Li3 87.108(8) 1_555 -101_556 n
Li2 O1 Mn2 166.773(4) 1_555 101_545 n
Li2 O1 Li4 98.657(7) 1_555 1_555 n
Li2 O1 Li4 98.657(7) 1_555 -1_555 n
Li3 O1 Li3 88.896(12) 101_545 -101_556 n
Li3 O1 Mn2 83.465(8) 101_545 101_545 n
Li3 O1 Li4 86.266(12) 101_545 1_555 n
Li3 O1 Li4 172.2663(11) 101_545 -1_555 n
Li3 O1 Mn2 83.465(8) -101_556 101_545 n
Li3 O1 Li4 172.2663(11) -101_556 1_555 n
Li3 O1 Li4 86.266(12) -101_556 -1_555 n
Mn2 O1 Li4 89.987(7) 101_545 1_555 n
Mn2 O1 Li4 89.987(7) 101_545 -1_555 n
Li4 O1 Li4 97.880(12) 1_555 -1_555 n
Mn1 O2 Mn1 97.602(8) 1_555 -101_445 n
Mn1 O2 Li1 88.333(12) 1_555 1_555 n
Mn1 O2 Li2 168.5562(16) 1_555 101_555 n
Mn1 O2 Li3 84.747(8) 1_555 -1_566 n
Mn1 O2 Li3 102.836(12) 1_555 101_545 n
Mn1 O2 Mn2 88.333(12) 1_555 1_555 n
Mn1 O2 Li4 0.0 1_555 1_555 n
Mn1 O2 Li4 97.602(8) 1_555 -101_555 n
Mn1 O2 Li1 88.719(7) -101_445 1_555 n
Mn1 O2 Li2 90.693(7) -101_555 101_555 n
Mn1 O2 Li3 175.1432(7) -101_555 -1_566 n
Mn1 O2 Li3 99.947(9) -101_555 101_545 n
Mn1 O2 Mn2 88.719(7) -101_555 1_555 n
Mn1 O2 Li4 97.602(8) -101_555 1_555 n
Mn1 O2 Li4 0.0 -101_555 -101_555 n
Li1 O2 Li2 83.965(12) 1_555 101_555 n
Li1 O2 Li3 87.097(7) 1_555 -1_566 n
Li1 O2 Li3 164.7012(16) 1_555 101_545 n
Li1 O2 Mn2 0.0 1_555 1_555 n
Li1 O2 Li4 88.333(12) 1_555 1_555 n
Li1 O2 Li4 88.719(7) 1_555 -101_555 n
Li2 O2 Li3 86.417(7) 101_555 -1_566 n
Li2 O2 Li3 83.352(12) 101_555 101_545 n
Li2 O2 Mn2 83.965(12) 101_555 1_555 n
Li2 O2 Li4 168.5562(16) 101_555 1_555 n
Li2 O2 Li4 90.693(7) 101_555 -101_555 n
Li3 O2 Li3 83.608(9) -1_566 101_545 n
Li3 O2 Mn2 87.097(7) -1_566 1_555 n
Li3 O2 Li4 84.747(8) -1_566 1_555 n
Li3 O2 Li4 175.1432(7) -1_566 -101_555 n
Li3 O2 Mn2 164.7012(16) 101_545 1_555 n
Li3 O2 Li4 102.836(12) 101_545 1_555 n
Li3 O2 Li4 99.947(9) 101_545 -101_555 n
Mn2 O2 Li4 88.333(12) 1_555 1_555 n
Mn2 O2 Li4 88.719(7) 1_555 -101_555 n
Li4 O2 Li4 97.602(8) 1_555 -101_555 n
O1 Mn2 O1 179.9802 101_455 102_555 n
O1 Mn2 O2 97.805(7) 101_455 1_555 n
O1 Mn2 O2 82.195(7) 101_455 2_555 n
O1 Mn2 O2 82.195(7) 101_455 -1_565 n
O1 Mn2 O2 97.805(7) 101_455 -2_565 n
O1 Mn2 Li4 40.725(6) 101_455 101_455 n
O1 Mn2 Li4 139.275(6) 101_455 101_555 n
O1 Mn2 Li4 40.725(6) 101_455 -101_455 n
O1 Mn2 Li4 139.275(6) 101_455 -101_555 n
O1 Mn2 O2 82.195(7) 102_555 1_555 n
O1 Mn2 O2 97.805(7) 102_555 2_555 n
O1 Mn2 O2 97.805(7) 102_555 -1_565 n
O1 Mn2 O2 82.195(7) 102_555 -2_565 n
O1 Mn2 Li4 139.275(6) 102_555 101_455 n
O1 Mn2 Li4 40.725(6) 102_555 101_555 n
O1 Mn2 Li4 139.275(6) 102_555 -101_455 n
O1 Mn2 Li4 40.725(6) 102_555 -101_555 n
O2 Mn2 O2 85.182(12) 1_555 2_555 n
O2 Mn2 O2 180.0 1_555 -1_565 n
O2 Mn2 O2 94.818(12) 1_555 -2_565 n
O2 Mn2 Li4 138.522(6) 1_555 101_455 n
O2 Mn2 Li4 88.575(10) 1_555 101_555 n
O2 Mn2 Li4 91.425(10) 1_555 -101_455 n
O2 Mn2 Li4 41.478(6) 1_555 -101_555 n
O2 Mn2 O2 94.818(12) 2_555 -1_565 n
O2 Mn2 O2 180.0 2_555 -2_565 n
O2 Mn2 Li4 88.575(10) 2_555 101_455 n
O2 Mn2 Li4 138.522(6) 2_555 101_555 n
O2 Mn2 Li4 41.478(6) 2_555 -101_455 n
O2 Mn2 Li4 91.425(10) 2_555 -101_555 n
O2 Mn2 O2 85.182(12) -1_565 -2_565 n
O2 Mn2 Li4 41.478(6) -1_565 101_455 n
O2 Mn2 Li4 91.425(10) -1_565 101_555 n
O2 Mn2 Li4 88.575(10) -1_565 -101_455 n
O2 Mn2 Li4 138.522(6) -1_565 -101_555 n
O2 Mn2 Li4 91.425(10) -2_565 101_455 n
O2 Mn2 Li4 41.478(6) -2_565 101_555 n
O2 Mn2 Li4 138.522(6) -2_565 -101_455 n
O2 Mn2 Li4 88.575(10) -2_565 -101_555 n
Li4 Mn2 Li4 121.063(7) 101_455 101_555 n
Li4 Mn2 Li4 58.937(7) 101_455 -101_455 n
Li4 Mn2 Li4 180.0 101_455 -101_555 n
Li4 Mn2 Li4 179.972 101_555 -101_455 n
Li4 Mn2 Li4 58.937(7) 101_555 -101_555 n
Li4 Mn2 Li4 121.063(7) -101_455 -101_555 n
Mn1 Li4 Li1 180.0 -1_555 1_555 n
Mn1 Li4 Li1 60.532(4) -1_555 101_445 n
Mn1 Li4 Li1 60.532(4) -1_555 101_545 n
Mn1 Li4 Li2 60.9127(33) -1_555 1_554 n
Mn1 Li4 Li2 60.9127(33) -1_555 1_555 n
Mn1 Li4 Li3 115.9309(31) -1_555 -1_565 n
Mn1 Li4 Li3 115.9309(31) -1_555 -1_566 n
Mn1 Li4 Li3 94.9888(11) -1_555 101_444 n
Mn1 Li4 Li3 94.9888(11) -1_555 101_545 n
Mn1 Li4 O1 41.060(6) -1_555 1_555 n
Mn1 Li4 O1 41.060(6) -1_555 2_555 n
Mn1 Li4 O2 130.924(6) -1_555 1_555 n
Mn1 Li4 O2 130.924(6) -1_555 2_555 n
Mn1 Li4 O2 96.1111(9) -1_555 -101_555 n
Mn1 Li4 O2 96.1111(9) -1_555 -102_455 n
Mn1 Li4 Mn2 60.532(4) -1_555 101_445 n
Mn1 Li4 Mn2 60.532(4) -1_555 101_545 n
Mn1 Li4 Li4 0.0 -1_555 -1_555 n
Mn1 Li4 Li4 120.790(4) -1_555 -101_455 n
Mn1 Li4 Li4 120.790(4) -1_555 -101_555 n
Li1 Li4 Li1 119.468(4) 1_555 101_445 n
Li1 Li4 Li1 119.468(4) 1_555 101_545 n
Li1 Li4 Li2 119.0873(33) 1_555 1_554 n
Li1 Li4 Li2 119.0873(33) 1_555 1_555 n
Li1 Li4 Li3 64.0691(31) 1_555 -1_565 n
Li1 Li4 Li3 64.0691(31) 1_555 -1_566 n
Li1 Li4 Li3 85.0112(11) 1_555 101_444 n
Li1 Li4 Li3 85.0111(11) 1_555 101_545 n
Li1 Li4 O1 138.940(6) 1_555 1_555 n
Li1 Li4 O1 138.940(6) 1_555 2_555 n
Li1 Li4 O2 49.076(6) 1_555 1_555 n
Li1 Li4 O2 49.076(6) 1_555 2_555 n
Li1 Li4 O2 83.8889(9) 1_555 -101_555 n
Li1 Li4 O2 83.8889(9) 1_555 -102_455 n
Li1 Li4 Mn2 119.468(4) 1_555 101_445 n
Li1 Li4 Mn2 119.468(4) 1_555 101_545 n
Li1 Li4 Li4 180.0 1_555 -1_555 n
Li1 Li4 Li4 59.209(4) 1_555 -101_455 n
Li1 Li4 Li4 59.209(4) 1_555 -101_555 n
Li1 Li4 Li1 121.063(7) 101_445 101_545 n
Li1 Li4 Li2 90.591(11) 101_445 1_554 n
Li1 Li4 Li2 60.750(12) 101_445 1_555 n
Li1 Li4 Li3 118.154(13) 101_445 -1_565 n
Li1 Li4 Li3 87.616(11) 101_445 -1_566 n
Li1 Li4 Li3 63.113(10) 101_445 101_444 n
Li1 Li4 Li3 122.534(9) 101_445 101_545 n
Li1 Li4 O1 84.858(10) 101_445 1_555 n
Li1 Li4 O1 49.289(7) 101_445 2_555 n
Li1 Li4 O2 138.970(6) 101_445 1_555 n
Li1 Li4 O2 83.693(10) 101_445 2_555 n
Li1 Li4 O2 138.604(7) 101_445 -101_555 n
Li1 Li4 O2 49.803(7) 101_445 -102_455 n
Li1 Li4 Mn2 0.0 101_445 101_445 n
Li1 Li4 Mn2 121.063(7) 101_445 101_545 n
Li1 Li4 Li4 60.532(4) 101_445 -1_555 n
Li1 Li4 Li4 60.259(8) 101_445 -101_455 n
Li1 Li4 Li4 178.67780(10) 101_445 -101_555 n
Li1 Li4 Li2 60.750(12) 101_545 1_554 n
Li1 Li4 Li2 90.591(11) 101_545 1_555 n
Li1 Li4 Li3 87.616(11) 101_545 -1_565 n
Li1 Li4 Li3 118.154(13) 101_545 -1_566 n
Li1 Li4 Li3 122.534(9) 101_545 101_444 n
Li1 Li4 Li3 63.113(10) 101_545 101_545 n
Li1 Li4 O1 49.289(7) 101_545 1_555 n
Li1 Li4 O1 84.858(10) 101_545 2_555 n
Li1 Li4 O2 83.693(10) 101_545 1_555 n
Li1 Li4 O2 138.971(6) 101_545 2_555 n
Li1 Li4 O2 49.803(7) 101_545 -101_555 n
Li1 Li4 O2 138.604(7) 101_545 -102_455 n
Li1 Li4 Mn2 121.063(7) 101_545 101_445 n
Li1 Li4 Mn2 0.0 101_545 101_545 n
Li1 Li4 Li4 60.532(4) 101_545 -1_555 n
Li1 Li4 Li4 178.67810(10) 101_545 -101_455 n
Li1 Li4 Li4 60.259(8) 101_545 -101_555 n
Li2 Li4 Li2 121.826(7) 1_554 1_555 n
Li2 Li4 Li3 55.018(6) 1_554 -1_565 n
Li2 Li4 Li3 176.84360(20) 1_554 -1_566 n
Li2 Li4 Li3 61.957(9) 1_554 101_444 n
Li2 Li4 Li3 123.690(9) 1_554 101_545 n
Li2 Li4 O1 90.744(9) 1_554 1_555 n
Li2 Li4 O1 41.746(6) 1_554 2_555 n
Li2 Li4 O2 130.283(8) 1_554 1_555 n
Li2 Li4 O2 89.447(11) 1_554 2_555 n
Li2 Li4 O2 48.416(7) 1_554 -101_555 n
Li2 Li4 O2 140.105(6) 1_554 -102_455 n
Li2 Li4 Mn2 90.591(11) 1_554 101_445 n
Li2 Li4 Mn2 60.750(12) 1_554 101_545 n
Li2 Li4 Li4 60.9127(33) 1_554 -1_555 n
Li2 Li4 Li4 119.670(12) 1_554 -101_455 n
Li2 Li4 Li4 90.155(11) 1_554 -101_555 n
Li2 Li4 Li3 176.84360(20) 1_555 -1_565 n
Li2 Li4 Li3 55.018(6) 1_555 -1_566 n
Li2 Li4 Li3 123.690(9) 1_555 101_444 n
Li2 Li4 Li3 61.957(9) 1_555 101_545 n
Li2 Li4 O1 41.746(6) 1_555 1_555 n
Li2 Li4 O1 90.744(9) 1_555 2_555 n
Li2 Li4 O2 89.447(11) 1_555 1_555 n
Li2 Li4 O2 130.283(8) 1_555 2_555 n
Li2 Li4 O2 140.105(6) 1_555 -101_555 n
Li2 Li4 O2 48.416(7) 1_555 -102_455 n
Li2 Li4 Mn2 60.750(12) 1_555 101_445 n
Li2 Li4 Mn2 90.591(11) 1_555 101_545 n
Li2 Li4 Li4 60.9127(33) 1_555 -1_555 n
Li2 Li4 Li4 90.155(11) 1_555 -101_455 n
Li2 Li4 Li4 119.670(12) 1_555 -101_555 n
Li3 Li4 Li3 128.138(6) -1_565 -1_566 n
Li3 Li4 Li3 55.572(9) -1_565 101_444 n
Li3 Li4 Li3 119.295(9) -1_565 101_545 n
Li3 Li4 O1 136.081(6) -1_565 1_555 n
Li3 Li4 O1 86.510(9) -1_565 2_555 n
Li3 Li4 O2 92.935(11) -1_565 1_555 n
Li3 Li4 O2 51.383(8) -1_565 2_555 n
Li3 Li4 O2 38.477(7) -1_565 -101_555 n
Li3 Li4 O2 133.610(7) -1_565 -102_455 n
Li3 Li4 Mn2 118.154(13) -1_565 101_445 n
Li3 Li4 Mn2 87.616(11) -1_565 101_545 n
Li3 Li4 Li4 115.9309(31) -1_565 -1_555 n
Li3 Li4 Li4 91.688(11) -1_565 -101_455 n
Li3 Li4 Li4 61.500(13) -1_565 -101_555 n
Li3 Li4 Li3 119.295(9) -1_566 101_444 n
Li3 Li4 Li3 55.572(9) -1_566 101_545 n
Li3 Li4 O1 86.510(9) -1_566 1_555 n
Li3 Li4 O1 136.081(6) -1_566 2_555 n
Li3 Li4 O2 51.383(8) -1_566 1_555 n
Li3 Li4 O2 92.935(11) -1_566 2_555 n
Li3 Li4 O2 133.610(7) -1_566 -101_555 n
Li3 Li4 O2 38.477(7) -1_566 -102_455 n
Li3 Li4 Mn2 87.616(11) -1_566 101_445 n
Li3 Li4 Mn2 118.154(13) -1_566 101_545 n
Li3 Li4 Li4 115.9309(31) -1_566 -1_555 n
Li3 Li4 Li4 61.500(13) -1_566 -101_455 n
Li3 Li4 Li4 91.688(11) -1_566 -101_555 n
Li3 Li4 Li3 170.0223(21) 101_444 101_545 n
Li3 Li4 O1 135.815(5) 101_444 1_555 n
Li3 Li4 O1 54.130(7) 101_444 2_555 n
Li3 Li4 O2 133.730(7) 101_444 1_555 n
Li3 Li4 O2 36.371(5) 101_444 2_555 n
Li3 Li4 O2 87.998(11) 101_444 -101_555 n
Li3 Li4 O2 90.941(11) 101_444 -102_455 n
Li3 Li4 Mn2 63.113(10) 101_444 101_445 n
Li3 Li4 Mn2 122.534(9) 101_444 101_545 n
Li3 Li4 Li4 94.9888(11) 101_444 -1_555 n
Li3 Li4 Li4 57.795(9) 101_444 -101_455 n
Li3 Li4 Li4 116.354(9) 101_444 -101_555 n
Li3 Li4 O1 54.130(7) 101_545 1_555 n
Li3 Li4 O1 135.815(5) 101_545 2_555 n
Li3 Li4 O2 36.371(5) 101_545 1_555 n
Li3 Li4 O2 133.730(7) 101_545 2_555 n
Li3 Li4 O2 90.941(11) 101_545 -101_555 n
Li3 Li4 O2 87.998(11) 101_545 -102_455 n
Li3 Li4 Mn2 122.534(9) 101_545 101_445 n
Li3 Li4 Mn2 63.113(10) 101_545 101_545 n
Li3 Li4 Li4 94.9888(11) 101_545 -1_555 n
Li3 Li4 Li4 116.354(9) 101_545 -101_455 n
Li3 Li4 Li4 57.795(9) 101_545 -101_555 n
O1 Li4 O1 82.120(12) 1_555 2_555 n
O1 Li4 O2 90.445(12) 1_555 1_555 n
O1 Li4 O2 168.5503(14) 1_555 2_555 n
O1 Li4 O2 99.081(7) 1_555 -101_555 n
O1 Li4 O2 90.155(7) 1_555 -102_455 n
O1 Li4 Mn2 84.858(10) 1_555 101_445 n
O1 Li4 Mn2 49.289(7) 1_555 101_545 n
O1 Li4 Li4 41.060(6) 1_555 -1_555 n
O1 Li4 Li4 131.572(7) 1_555 -101_455 n
O1 Li4 Li4 96.224(10) 1_555 -101_555 n
O1 Li4 O2 168.5503(14) 2_555 1_555 n
O1 Li4 O2 90.445(12) 2_555 2_555 n
O1 Li4 O2 90.155(7) 2_555 -101_555 n
O1 Li4 O2 99.081(7) 2_555 -102_455 n
O1 Li4 Mn2 49.289(7) 2_555 101_445 n
O1 Li4 Mn2 84.858(10) 2_555 101_545 n
O1 Li4 Li4 41.060(6) 2_555 -1_555 n
O1 Li4 Li4 96.224(10) 2_555 -101_455 n
O1 Li4 Li4 131.572(7) 2_555 -101_555 n
O2 Li4 O2 98.151(12) 1_555 2_555 n
O2 Li4 O2 82.398(8) 1_555 -101_555 n
O2 Li4 O2 89.588(8) 1_555 -102_455 n
O2 Li4 Mn2 138.970(6) 1_555 101_445 n
O2 Li4 Mn2 83.693(10) 1_555 101_545 n
O2 Li4 Li4 130.924(6) 1_555 -1_555 n
O2 Li4 Li4 95.224(10) 1_555 -101_455 n
O2 Li4 Li4 40.386(6) 1_555 -101_555 n
O2 Li4 O2 89.588(8) 2_555 -101_555 n
O2 Li4 O2 82.398(8) 2_555 -102_455 n
O2 Li4 Mn2 83.693(10) 2_555 101_445 n
O2 Li4 Mn2 138.971(6) 2_555 101_545 n
O2 Li4 Li4 130.924(6) 2_555 -1_555 n
O2 Li4 Li4 40.386(6) 2_555 -101_455 n
O2 Li4 Li4 95.224(10) 2_555 -101_555 n
O2 Li4 O2 167.7777(18) -101_555 -102_455 n
O2 Li4 Mn2 138.604(7) -101_555 101_445 n
O2 Li4 Mn2 49.803(7) -101_555 101_545 n
O2 Li4 Li4 96.1111(9) -101_555 -1_555 n
O2 Li4 Li4 129.347(7) -101_555 -101_455 n
O2 Li4 Li4 42.012(7) -101_555 -101_555 n
O2 Li4 Mn2 49.803(7) -102_455 101_445 n
O2 Li4 Mn2 138.604(7) -102_455 101_545 n
O2 Li4 Li4 96.1111(9) -102_455 -1_555 n
O2 Li4 Li4 42.012(7) -102_455 -101_455 n
O2 Li4 Li4 129.347(7) -102_455 -101_555 n
Mn2 Li4 Mn2 121.063(7) 101_445 101_545 n
Mn2 Li4 Li4 60.532(4) 101_445 -1_555 n
Mn2 Li4 Li4 60.259(8) 101_445 -101_455 n
Mn2 Li4 Li4 178.67780(10) 101_445 -101_555 n
Mn2 Li4 Li4 60.532(4) 101_545 -1_555 n
Mn2 Li4 Li4 178.67810(10) 101_545 -101_455 n
Mn2 Li4 Li4 60.259(8) 101_545 -101_555 n
Li4 Li4 Li4 120.790(4) -1_555 -101_455 n
Li4 Li4 Li4 120.790(4) -1_555 -101_555 n
Li4 Li4 Li4 118.419(8) -101_455 -101_555 n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn1 Mn1 2.79175(20) -1_555 n
Mn1 Mn1 2.87572(29) -101_345 n
Mn1 Mn1 2.87572(29) -101_445 n
Mn1 Li1 2.86796(20) 1_555 n
Mn1 Li1 2.83746(29) 101_445 n
Mn1 Li1 2.83746(29) 101_545 n
Mn1 Li2 2.87134(26) 1_554 n
Mn1 Li2 2.87134(26) 1_555 n
Mn1 Li3 2.79011(27) -1_565 n
Mn1 Li3 2.79011(27) -1_566 n
Mn1 Li3 2.8978(6) 101_444 n
Mn1 Li3 2.8978(6) 101_545 n
Mn1 O1 1.85124(18) 1_555 n
Mn1 O1 1.85124(18) 2_555 n
Mn1 O2 1.94175(23) 1_555 n
Mn1 O2 1.94175(23) 2_555 n
Mn1 O2 1.87980(24) -101_445 n
Mn1 O2 1.87980(24) -102_345 n
Mn1 Mn2 2.86796(20) 1_555 n
Mn1 Mn2 2.83746(29) 101_445 n
Mn1 Mn2 2.83746(29) 101_545 n
Mn1 Li4 2.79175(20) -1_555 n
Mn1 Li4 2.87572(29) -101_345 n
Mn1 Li4 2.87572(29) -101_445 n
Li1 Mn1 2.86796(20) 1_555 n
Li1 Mn1 2.86796(20) -1_565 n
Li1 Mn1 2.83746(29) 101_455 n
Li1 Mn1 2.83746(29) 101_555 n
Li1 Mn1 2.83746(29) -101_345 n
Li1 Mn1 2.83746(29) -101_445 n
Li1 Li2 2.8869(6) 101_454 n
Li1 Li2 2.8869(6) 101_555 n
Li1 Li3 3.00194(25) 1_554 n
Li1 Li3 3.00194(25) 1_555 n
Li1 Li3 3.00194(25) -1_565 n
Li1 Li3 3.00194(25) -1_566 n
Li1 O1 2.15081(28) 101_455 n
Li1 O1 2.15081(28) 102_555 n
Li1 O2 2.16788(22) 1_555 n
Li1 O2 2.16788(22) 2_555 n
Li1 O2 2.16788(22) -1_565 n
Li1 O2 2.16788(22) -2_565 n
Li1 Li4 2.86796(20) 1_555 n
Li1 Li4 2.86796(20) -1_565 n
Li1 Li4 2.83746(29) 101_455 n
Li1 Li4 2.83746(29) 101_555 n
Li1 Li4 2.83746(29) -101_345 n
Li1 Li4 2.83746(29) -101_445 n
Li2 Mn1 2.87134(26) 1_555 n
Li2 Mn1 2.87134(26) 1_556 n
Li2 Mn1 2.87134(26) -1_555 n
Li2 Mn1 2.87134(26) -1_556 n
Li2 Li1 2.8869(6) 101_445 n
Li2 Li1 2.8869(6) 101_546 n
Li2 Li3 2.61596(18) 1_545 n
Li2 Li3 2.61596(18) -1_566 n
Li2 Li3 2.96955(28) 101_445 n
Li2 Li3 2.96955(28) 101_545 n
Li2 Li3 2.96955(28) -101_346 n
Li2 Li3 2.96955(28) -101_446 n
Li2 O1 1.93385(24) 1_555 n
Li2 O1 1.93385(24) 2_556 n
Li2 O2 2.14786(21) 101_445 n
Li2 O2 2.14786(21) 102_546 n
Li2 O2 2.14786(21) -101_446 n
Li2 O2 2.14786(21) -102_345 n
Li2 Mn2 2.8869(6) 101_445 n
Li2 Mn2 2.8869(6) 101_546 n
Li2 Li4 2.87134(26) 1_555 n
Li2 Li4 2.87134(26) 1_556 n
Li2 Li4 2.87134(26) -1_555 n
Li2 Li4 2.87134(26) -1_556 n
Li3 Mn1 2.79011(27) -1_565 n
Li3 Mn1 2.79011(27) -1_566 n
Li3 Mn1 2.8978(6) 101_455 n
Li3 Mn1 2.8978(6) 101_556 n
Li3 Li1 3.00194(25) 1_555 n
Li3 Li1 3.00194(25) 1_556 n
Li3 Li2 2.61596(18) 1_565 n
Li3 Li2 2.96955(28) 101_455 n
Li3 Li2 2.96955(28) 101_555 n
Li3 Li3 3.29575(23) -1_566 n
Li3 Li3 2.65328(31) -101_356 n
Li3 Li3 2.65328(31) -101_456 n
Li3 O1 2.35323(26) 101_455 n
Li3 O1 2.35323(26) 102_556 n
Li3 O2 2.18921(28) -1_566 n
Li3 O2 2.18921(28) -2_565 n
Li3 O2 1.76251(24) 101_455 n
Li3 O2 1.76251(24) 102_556 n
Li3 Mn2 3.00194(25) 1_555 n
Li3 Mn2 3.00194(25) 1_556 n
Li3 Li4 2.79011(27) -1_565 n
Li3 Li4 2.79011(27) -1_566 n
Li3 Li4 2.8978(6) 101_455 n
Li3 Li4 2.8978(6) 101_556 n
O1 Mn1 1.85124(18) 1_555 n
O1 Mn1 1.85124(18) -1_555 n
O1 Li1 2.15081(28) 101_545 n
O1 Li2 1.93385(24) 1_555 n
O1 Li3 2.35323(26) 101_545 n
O1 Li3 2.35323(26) -101_446 n
O1 Mn2 2.15081(28) 101_545 n
O1 Li4 1.85124(18) 1_555 n
O1 Li4 1.85124(18) -1_555 n
O2 Mn1 1.94175(23) 1_555 n
O2 Mn1 1.87980(24) -101_445 n
O2 Li1 2.16788(22) 1_555 n
O2 Li2 2.14786(21) 101_555 n
O2 Li3 2.18921(28) -1_566 n
O2 Li3 1.76251(24) 101_545 n
O2 Mn2 2.16788(22) 1_555 n
O2 Li4 1.94175(23) 1_555 n
O2 Li4 1.87980(24) -101_445 n
Mn2 Mn1 2.86796(20) 1_555 n
Mn2 Mn1 2.86796(20) -1_565 n
Mn2 Mn1 2.83746(29) 101_455 n
Mn2 Mn1 2.83746(29) 101_555 n
Mn2 Mn1 2.83746(29) -101_345 n
Mn2 Mn1 2.83746(29) -101_445 n
Mn2 Li2 2.8869(6) 101_454 n
Mn2 Li2 2.8869(6) 101_555 n
Mn2 Li3 3.00194(25) 1_554 n
Mn2 Li3 3.00194(25) 1_555 n
Mn2 Li3 3.00194(25) -1_565 n
Mn2 Li3 3.00194(25) -1_566 n
Mn2 O1 2.15081(28) 101_455 n
Mn2 O1 2.15081(28) 102_555 n
Mn2 O2 2.16788(22) 1_555 n
Mn2 O2 2.16788(22) 2_555 n
Mn2 O2 2.16788(22) -1_565 n
Mn2 O2 2.16788(22) -2_565 n
Mn2 Li4 2.86796(20) 1_555 n
Mn2 Li4 2.86796(20) -1_565 n
Mn2 Li4 2.83746(29) 101_455 n
Mn2 Li4 2.83746(29) 101_555 n
Mn2 Li4 2.83746(29) -101_345 n
Mn2 Li4 2.83746(29) -101_445 n
Li4 Mn1 2.79175(20) -1_555 n
Li4 Mn1 2.87572(29) -101_345 n
Li4 Mn1 2.87572(29) -101_445 n
Li4 Li1 2.86796(20) 1_555 n
Li4 Li1 2.83746(29) 101_445 n
Li4 Li1 2.83746(29) 101_545 n
Li4 Li2 2.87134(26) 1_554 n
Li4 Li2 2.87134(26) 1_555 n
Li4 Li3 2.79011(27) -1_565 n
Li4 Li3 2.79011(27) -1_566 n
Li4 Li3 2.8978(6) 101_444 n
Li4 Li3 2.8978(6) 101_545 n
Li4 O1 1.85124(18) 1_555 n
Li4 O1 1.85124(18) 2_555 n
Li4 O2 1.94175(23) 1_555 n
Li4 O2 1.94175(23) 2_555 n
Li4 O2 1.87980(24) -101_445 n
Li4 O2 1.87980(24) -102_345 n
Li4 Mn2 2.86796(20) 1_555 n
Li4 Mn2 2.83746(29) 101_445 n
Li4 Mn2 2.83746(29) 101_545 n
Li4 Li4 2.79175(20) -1_555 n
Li4 Li4 2.87572(29) -101_345 n
Li4 Li4 2.87572(29) -101_445 n
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
857.0 0.001167 633.07715 632.99835
834.0 0.001199 633.07507 632.99640
858.0 0.001166 633.07135 632.99310
829.0 0.001206 633.06622 632.98822
813.0 0.001230 633.05951 632.98187
826.0 0.001211 633.05145 632.97406
768.0 0.001302 633.04193 632.96484
757.0 0.001321 633.03088 632.95410
824.0 0.001214 633.01837 632.94189
861.0 0.001161 633.00446 632.92828
788.0 0.001269 632.98901 632.91315
812.0 0.001232 632.97211 632.89655
813.0 0.001230 632.95386 632.87848
809.0 0.001236 632.93408 632.85907
803.0 0.001245 632.91284 632.83820
834.0 0.001199 632.89020 632.81586
824.0 0.001214 632.86615 632.79199
838.0 0.001193 632.84064 632.76685
850.0 0.001176 632.81366 632.74023
809.0 0.001236 632.78528 632.71216
805.0 0.001242 632.75543 632.68262
801.0 0.001248 632.72424 632.65167
795.0 0.001258 632.69165 632.61932
837.0 0.001195 632.65765 632.58557
845.0 0.001183 632.62213 632.55035
816.0 0.001225 632.58533 632.51385
788.0 0.001269 632.54706 632.47583
782.0 0.001279 632.50732 632.43646
804.0 0.001244 632.46631 632.39563
787.0 0.001271 632.42389 632.35345
730.0 0.001370 632.37994 632.30988
767.0 0.001304 632.33478 632.26495
796.0 0.001256 632.28809 632.21857
760.0 0.001316 632.24017 632.17090
870.0 0.001149 632.19073 632.12177
806.0 0.001241 632.13995 632.07135
769.0 0.001300 632.08783 632.01947
780.0 0.001282 632.03430 631.96625
772.0 0.001295 631.97949 631.91168
801.0 0.001248 631.92328 631.85577
762.0 0.001312 631.86566 631.79834
760.0 0.001316 631.80664 631.73969
785.0 0.001274 631.74646 631.67969
801.0 0.001248 631.68481 631.61829
767.0 0.001304 631.62177 631.55560
763.0 0.001311 631.55743 631.49158
742.0 0.001348 631.49176 631.42615
750.0 0.001333 631.42474 631.35938
768.0 0.001302 631.35638 631.29126
752.0 0.001330 631.28668 631.22192
733.0 0.001364 631.21576 631.15118
785.0 0.001274 631.14331 631.07910
742.0 0.001348 631.06970 631.00574
716.0 0.001397 630.99469 630.93103
737.0 0.001357 630.91846 630.85498
733.0 0.001364 630.84082 630.77765
738.0 0.001355 630.76196 630.69904
710.0 0.001408 630.68170 630.61908
692.0 0.001445 630.60022 630.53784
709.0 0.001410 630.51740 630.45520
783.0 0.001277 630.43335 630.37146
785.0 0.001274 630.34784 630.28619
684.0 0.001462 630.26111 630.19983
653.0 0.001531 630.17316 630.11206
688.0 0.001453 630.08398 630.02307
738.0 0.001355 629.99341 629.93280
698.0 0.001433 629.90155 629.84125
709.0 0.001410 629.80847 629.74835
728.0 0.001374 629.71399 629.65424
643.0 0.001555 629.61835 629.55890
692.0 0.001445 629.52148 629.46222
694.0 0.001441 629.42340 629.36432
692.0 0.001445 629.32391 629.26508
723.0 0.001383 629.22321 629.16467
676.0 0.001479 629.12128 629.06305
650.0 0.001538 629.01807 628.96008
673.0 0.001486 628.91370 628.85590
712.0 0.001404 628.80804 628.75049
686.0 0.001458 628.70105 628.64386
684.0 0.001462 628.59283 628.53583
721.0 0.001387 628.48352 628.42664
622.0 0.001608 628.37292 628.31628
669.0 0.001495 628.26099 628.20471
683.0 0.001464 628.14789 628.09198
638.0 0.001567 628.03357 627.97784
714.0 0.001401 627.91803 627.86261
682.0 0.001466 627.80133 627.74609
696.0 0.001437 627.68341 627.62842
671.0 0.001490 627.56421 627.50946
657.0 0.001522 627.44385 627.38922
632.0 0.001582 627.32227 627.26807
655.0 0.001527 627.19946 627.14545
685.0 0.001460 627.07550 627.02173
697.0 0.001435 626.95038 626.89679
652.0 0.001534 626.82391 626.77069
660.0 0.001515 626.69641 626.64331
659.0 0.001517 626.56769 626.51483
691.0 0.001447 626.43768 626.38513
648.0 0.001543 626.30664 626.25433
618.0 0.001618 626.17426 626.12219
648.0 0.001543 626.04089 625.98883
663.0 0.001508 625.90625 625.85455
654.0 0.001529 625.77039 625.71893
652.0 0.001534 625.63342 625.58221
606.0 0.001650 625.49530 625.44427
655.0 0.001527 625.35602 625.30530
666.0 0.001502 625.21552 625.16504
639.0 0.001565 625.07397 625.02368
662.0 0.001511 624.93127 624.88116
686.0 0.001458 624.78729 624.73749
652.0 0.001534 624.64221 624.59271
632.0 0.001582 624.49609 624.44666
692.0 0.001445 624.34875 624.29962
683.0 0.001464 624.20026 624.15143
683.0 0.001464 624.05066 624.00195
693.0 0.001443 623.89990 623.85150
646.0 0.001548 623.74811 623.69983
623.0 0.001605 623.59509 623.54712
625.0 0.001600 623.44092 623.39325
642.0 0.001558 623.28571 623.23822
660.0 0.001515 623.12939 623.08215
641.0 0.001560 622.97198 622.92487
642.0 0.001558 622.81335 622.76654
613.0 0.001631 622.65369 622.60699
666.0 0.001502 622.49292 622.44647
612.0 0.001634 622.33099 622.28479
635.0 0.001575 622.16803 622.12207
631.0 0.001585 622.00391 621.95819
614.0 0.001629 621.83881 621.79321
673.0 0.001486 621.67255 621.62720
656.0 0.001524 621.50519 621.46008
638.0 0.001567 621.33679 621.29187
623.0 0.001605 621.16724 621.12262
612.0 0.001634 620.99664 620.95221
600.0 0.001667 620.82501 620.78070
609.0 0.001642 620.65228 620.60828
611.0 0.001637 620.47845 620.43457
627.0 0.001595 620.30347 620.26001
641.0 0.001560 620.12762 620.08423
582.0 0.001718 619.95062 619.90741
640.0 0.001563 619.77246 619.72949
595.0 0.001681 619.59332 619.55072
628.0 0.001592 619.41327 619.37067
603.0 0.001658 619.23199 619.18958
601.0 0.001664 619.04974 619.00751
594.0 0.001684 618.86639 618.82446
613.0 0.001631 618.68195 618.64032
603.0 0.001658 618.49658 618.45514
577.0 0.001733 618.31018 618.26886
619.0 0.001616 618.12274 618.08167
600.0 0.001667 617.93420 617.89337
606.0 0.001650 617.74463 617.70398
559.0 0.001789 617.55408 617.51367
586.0 0.001706 617.36261 617.32227
571.0 0.001751 617.16998 617.12994
576.0 0.001736 616.97644 616.93652
605.0 0.001653 616.78174 616.74207
618.0 0.001618 616.58606 616.54663
599.0 0.001669 616.38940 616.35022
563.0 0.001776 616.19183 616.15271
582.0 0.001718 615.99310 615.95422
560.0 0.001786 615.79346 615.75482
597.0 0.001675 615.59277 615.55438
573.0 0.001745 615.39117 615.35291
571.0 0.001751 615.18848 615.15039
578.0 0.001730 614.98486 614.94702
592.0 0.001689 614.78027 614.74268
591.0 0.001692 614.57465 614.53717
569.0 0.001757 614.36810 614.33081
576.0 0.001736 614.16052 614.12341
590.0 0.001695 613.95197 613.91510
547.0 0.001828 613.74249 613.70581
553.0 0.001808 613.53198 613.49554
606.0 0.001650 613.32056 613.28424
563.0 0.001776 613.10803 613.07196
553.0 0.001808 612.89478 612.85883
571.0 0.001751 612.68042 612.64478
583.0 0.001715 612.46509 612.42963
561.0 0.001783 612.24890 612.21350
590.0 0.001695 612.03168 611.99658
556.0 0.001799 611.81354 611.77856
538.0 0.001859 611.59448 611.55969
547.0 0.001828 611.37445 611.33990
536.0 0.001866 611.15344 611.11908
569.0 0.001757 610.93158 610.89740
530.0 0.001887 610.70874 610.67474
530.0 0.001887 610.48492 610.45117
521.0 0.001919 610.26019 610.22662
563.0 0.001776 610.03461 610.00116
519.0 0.001927 609.80798 609.77472
557.0 0.001795 609.58057 609.54749
548.0 0.001825 609.35217 609.31927
560.0 0.001786 609.12286 609.09009
552.0 0.001812 608.89270 608.86011
561.0 0.001783 608.66150 608.62915
574.0 0.001742 608.42944 608.39728
533.0 0.001876 608.19653 608.16455
559.0 0.001789 607.96265 607.93079
555.0 0.001802 607.72784 607.69629
561.0 0.001783 607.49225 607.46075
526.0 0.001901 607.25568 607.22437
545.0 0.001835 607.01831 606.98712
541.0 0.001848 606.77997 606.74902
586.0 0.001706 606.54065 606.50995
575.0 0.001739 606.30060 606.27008
505.0 0.001980 606.05957 606.02911
526.0 0.001901 605.81769 605.78754
515.0 0.001942 605.57495 605.54498
575.0 0.001739 605.33142 605.30145
540.0 0.001852 605.08679 605.05719
553.0 0.001808 604.84161 604.81201
571.0 0.001751 604.59534 604.56604
533.0 0.001876 604.34827 604.31903
550.0 0.001818 604.10028 604.07129
483.0 0.002070 603.85150 603.82269
544.0 0.001838 603.60181 603.57306
517.0 0.001934 603.35126 603.32281
488.0 0.002049 603.09991 603.07159
524.0 0.001908 602.84772 602.81952
511.0 0.001957 602.59467 602.56665
539.0 0.001855 602.34076 602.31293
515.0 0.001942 602.08600 602.05835
522.0 0.001916 601.83044 601.80292
548.0 0.001825 601.57404 601.54663
500.0 0.002000 601.31671 601.28961
555.0 0.001802 601.05865 601.03162
529.0 0.001890 600.79974 600.77289
523.0 0.001912 600.53998 600.51331
507.0 0.001972 600.27954 600.25293
555.0 0.001802 600.01813 599.99176
509.0 0.001965 599.75592 599.72968
508.0 0.001969 599.49292 599.46686
523.0 0.001912 599.22906 599.20325
475.0 0.002105 598.96454 598.93872
510.0 0.001961 598.69897 598.67346
507.0 0.001972 598.43274 598.40735
474.0 0.002110 598.16565 598.14050
463.0 0.002160 597.89789 597.87280
529.0 0.001890 597.62921 597.60431
525.0 0.001905 597.35986 597.33502
495.0 0.002020 597.08954 597.06494
480.0 0.002083 596.81848 596.79413
488.0 0.002049 596.54675 596.52246
555.0 0.001802 596.27417 596.25000
500.0 0.002000 596.00079 595.97675
484.0 0.002066 595.72656 595.70270
513.0 0.001949 595.45166 595.42798
532.0 0.001880 595.17596 595.15240
484.0 0.002066 594.89948 594.87610
471.0 0.002123 594.62219 594.59906
477.0 0.002096 594.34424 594.32117
532.0 0.001880 594.06543 594.04248
510.0 0.001961 593.78589 593.76318
502.0 0.001992 593.50555 593.48291
487.0 0.002053 593.22449 593.20209
499.0 0.002004 592.94269 592.92035
510.0 0.001961 592.66003 592.63794
485.0 0.002062 592.37677 592.35474
476.0 0.002101 592.09271 592.07086
524.0 0.001908 591.80792 591.78619
467.0 0.002141 591.52234 591.50079
488.0 0.002049 591.23602 591.21460
452.0 0.002212 590.94897 590.92773
512.0 0.001953 590.66119 590.64008
489.0 0.002045 590.37274 590.35175
488.0 0.002049 590.08350 590.06262
527.0 0.001898 589.79346 589.77283
446.0 0.002242 589.50281 589.48224
472.0 0.002119 589.21136 589.19098
480.0 0.002083 588.91925 588.89893
509.0 0.001965 588.62634 588.60632
478.0 0.002092 588.33282 588.31281
518.0 0.001931 588.03851 588.01868
453.0 0.002208 587.74347 587.72382
462.0 0.002165 587.44781 587.42834
482.0 0.002075 587.15137 587.13202
512.0 0.001953 586.85431 586.83502
486.0 0.002058 586.55640 586.53729
505.0 0.001980 586.25793 586.23895
486.0 0.002058 585.95868 585.93994
494.0 0.002024 585.65875 585.64008
490.0 0.002041 585.35822 585.33960
477.0 0.002096 585.05682 585.03845
474.0 0.002110 584.75488 584.73663
488.0 0.002049 584.45227 584.43402
477.0 0.002096 584.14886 584.13086
496.0 0.002016 583.84479 583.82690
501.0 0.001996 583.54016 583.52240
468.0 0.002137 583.23474 583.21710
494.0 0.002024 582.92865 582.91119
498.0 0.002008 582.62189 582.60461
463.0 0.002160 582.31451 582.29730
478.0 0.002092 582.00647 581.98938
480.0 0.002083 581.69775 581.68079
474.0 0.002110 581.38831 581.37152
477.0 0.002096 581.07825 581.06158
486.0 0.002058 580.76758 580.75098
469.0 0.002132 580.45624 580.43976
445.0 0.002247 580.14417 580.12787
452.0 0.002212 579.83148 579.81537
486.0 0.002058 579.51813 579.50208
454.0 0.002203 579.20422 579.18823
484.0 0.002066 578.88965 578.87384
486.0 0.002058 578.57434 578.55872
465.0 0.002151 578.25848 578.24298
469.0 0.002132 577.94196 577.92651
460.0 0.002174 577.62476 577.60950
476.0 0.002101 577.30695 577.29187
436.0 0.002294 576.98859 576.97351
411.0 0.002433 576.66949 576.65460
488.0 0.002049 576.34979 576.33514
459.0 0.002179 576.02960 576.01489
471.0 0.002123 575.70862 575.69409
481.0 0.002079 575.38702 575.37274
478.0 0.002092 575.06494 575.05054
482.0 0.002075 574.74219 574.72809
474.0 0.002110 574.41876 574.40472
463.0 0.002160 574.09479 574.08087
487.0 0.002053 573.77020 573.75635
458.0 0.002183 573.44495 573.43134
477.0 0.002096 573.11920 573.10565
502.0 0.001992 572.79291 572.77936
468.0 0.002137 572.46582 572.45245
503.0 0.001988 572.13818 572.12500
439.0 0.002278 571.81000 571.79694
496.0 0.002016 571.48126 571.46832
466.0 0.002146 571.15179 571.13904
482.0 0.002075 570.82184 570.80920
493.0 0.002028 570.49139 570.47882
486.0 0.002058 570.16028 570.14777
450.0 0.002222 569.82849 569.81622
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87.0 . . .
