#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:28:27 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178951 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/80/4118077.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_4118077
loop_
_publ_author_name
'Saskia Lupart'
'Giuliano Gregori'
'Joachim Maier'
'Wolfgang Schnick'
_publ_contact_author_address
;  Department of Chemistry
   Ludwig-Maximilians-Universitaet Muenchen
   Butenandtstr. 5-13 (D)
   D-81377 Muenchen, Germany
;
_publ_contact_author_email       wolfgang.schnick@uni-muenchen.de
_publ_contact_author_fax         +49/89/2180-77440
_publ_contact_author_name        'Prof. Dr. Wolfgang Schnick'
_publ_contact_author_phone       +49/89/2180-77436
_publ_section_title
;
 Li14Ln5[Si11N19O5]O2F2 with Ln = Ce, Nd - Representatives of a Family of
 Potential Lithium Ion Conductors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10132
_journal_page_last               10137
_journal_paper_doi               10.1021/ja302255d
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'F2 Li14 N19 Nd5 O7 Si11'
_chemical_formula_weight         1543.54
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.126(3)
_cell_length_b                   7.6155(15)
_cell_length_c                   10.123(2)
_cell_measurement_reflns_used    3936
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.4
_cell_measurement_theta_min      2.3
_cell_volume                     1320.3(4)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        X-AREA
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'Stoe IPDS 1'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0851
_diffrn_reflns_av_sigmaI/netI    0.0635
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10825
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.93
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.247
_exptl_absorpt_correction_T_max  0.123
_exptl_absorpt_correction_T_min  0.076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
XPREP (Shgeldrick, 2008)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.883
_exptl_crystal_description       block
_exptl_crystal_F_000             1406
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.108
_refine_diff_density_min         -2.505
_refine_diff_density_rms         0.305
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.893
_refine_ls_matrix_type           full
_refine_ls_number_parameters     144
_refine_ls_number_reflns         1589
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.893
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0574P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0929
_refine_ls_wR_factor_ref         0.1005
_reflns_number_gt                1047
_reflns_number_total             1589
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja302255d_si_003.cif
_cod_data_source_block           Li14Nd5[Si4N19O5]O2F2
_cod_original_cell_volume        1320.3(5)
_cod_original_sg_symbol_H-M      'P m m n'
_cod_database_code               4118077
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z'
'-x-1/2, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Nd1 Nd 0.7500 -0.2500 1.17303(13) 0.0262(3) Uani 1 4 d S
Nd2 Nd 0.7500 0.00037(15) 0.72903(7) 0.01929(19) Uani 1 2 d S
Nd3 Nd 0.5000 0.0000 1.0000 0.01768(19) Uani 1 2 d S
Si1 Si 0.7500 0.2500 0.2639(6) 0.0173(11) Uani 1 4 d S
Si2 Si 0.6593(2) 0.2500 0.5240(4) 0.0177(8) Uani 1 2 d S
Si3 Si 0.6485(2) -0.2500 0.9157(4) 0.0156(8) Uani 1 2 d S
Si4 Si 0.56174(14) -0.0470(4) 0.6961(3) 0.0150(6) Uani 1 1 d .
Si5 Si 0.5724(2) -0.2500 1.2297(4) 0.0158(8) Uani 1 2 d S
N1 N 0.3804(4) 0.0574(12) 0.1615(9) 0.0186(17) Uani 1 1 d .
N2 N 0.5369(7) -0.2500 0.6339(12) 0.019(3) Uani 1 2 d S
N3 N 0.2500 0.2500 0.0718(18) 0.020(4) Uani 1 4 d S
N4 N 0.6070(7) -0.2500 1.0692(14) 0.023(3) Uani 1 2 d S
N5 N 0.6613(7) 0.2500 0.3537(12) 0.015(2) Uani 1 2 d S
N6 N 0.6124(5) 0.0640(14) 0.5757(9) 0.024(2) Uani 1 1 d .
N7 N 0.4782(5) 0.0587(15) -0.2532(9) 0.027(2) Uani 1 1 d .
O1 O 0.2500 -0.2500 -0.5906(15) 0.026(4) Uani 1 4 d S
O2 O 0.3506(6) 0.2500 -0.3342(11) 0.026(3) Uani 1 2 d S
O3 O 0.7500 0.0727(15) 0.1642(11) 0.021(2) Uani 1 2 d S
O1O O 0.7500 0.2500 0.8885(16) 0.033(4) Uani 0.50 4 d SP
F1F F 0.7500 0.2500 0.8885(16) 0.033(4) Uani 0.50 4 d SP
O2O O 0.5799(5) 0.2500 0.0371(10) 0.027(2) Uani 0.50 2 d SP
F2F F 0.5799(5) 0.2500 0.0371(10) 0.027(2) Uani 0.50 2 d SP
O3O O 0.2500 0.2500 -0.5988(15) 0.024(3) Uani 0.50 4 d SP
F3F F 0.2500 0.2500 -0.5988(15) 0.024(3) Uani 0.50 4 d SP
Li1 Li 0.5110(17) 0.2500 -0.460(3) 0.033(6) Uiso 1 2 d S
Li2 Li 0.5692(19) 0.2500 0.236(3) 0.036(7) Uiso 1 2 d S
Li3 Li 0.355(2) 0.2500 -0.539(4) 0.042(8) Uiso 1 2 d S
Li4 Li 0.3893(13) -0.007(4) -0.377(2) 0.044(5) Uiso 1 1 d .
Li5 Li 0.3232(15) -0.100(5) -0.018(3) 0.051(6) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O2 Nd1 O2 93.1(5) 6_656 5_656
O2 Nd1 O3 91.43(18) 6_656 2_646
O2 Nd1 O3 91.43(18) 5_656 2_646
O2 Nd1 O3 91.43(18) 6_656 1_556
O2 Nd1 O3 91.43(18) 5_656 1_556
O3 Nd1 O3 175.8(5) 2_646 1_556
O2 Nd1 N3 133.4(3) 6_656 5_656
O2 Nd1 N3 133.4(3) 5_656 5_656
O3 Nd1 N3 87.9(3) 2_646 5_656
O3 Nd1 N3 87.9(3) 1_556 5_656
O2 Nd1 N4 159.8(4) 6_656 .
O2 Nd1 N4 66.7(4) 5_656 .
O3 Nd1 N4 89.18(10) 2_646 .
O3 Nd1 N4 89.18(10) 1_556 .
N3 Nd1 N4 66.8(3) 5_656 .
O2 Nd1 N4 66.7(4) 6_656 2_645
O2 Nd1 N4 159.8(4) 5_656 2_645
O3 Nd1 N4 89.18(10) 2_646 2_645
O3 Nd1 N4 89.18(10) 1_556 2_645
N3 Nd1 N4 66.8(3) 5_656 2_645
N4 Nd1 N4 133.6(6) . 2_645
O2 Nd1 Si5 32.8(3) 6_656 2_645
O2 Nd1 Si5 125.9(3) 5_656 2_645
O3 Nd1 Si5 90.39(5) 2_646 2_645
O3 Nd1 Si5 90.39(5) 1_556 2_645
N3 Nd1 Si5 100.69(7) 5_656 2_645
N4 Nd1 Si5 167.5(3) . 2_645
N4 Nd1 Si5 33.9(3) 2_645 2_645
O2 Nd1 Si5 125.9(3) 6_656 .
O2 Nd1 Si5 32.8(3) 5_656 .
O3 Nd1 Si5 90.39(5) 2_646 .
O3 Nd1 Si5 90.39(5) 1_556 .
N3 Nd1 Si5 100.69(7) 5_656 .
N4 Nd1 Si5 33.9(3) . .
N4 Nd1 Si5 167.5(3) 2_645 .
Si5 Nd1 Si5 158.62(15) 2_645 .
O2 Nd1 Si3 167.2(3) 6_656 .
O2 Nd1 Si3 99.7(3) 5_656 .
O3 Nd1 Si3 88.3(2) 2_646 .
O3 Nd1 Si3 88.3(2) 1_556 .
N3 Nd1 Si3 33.71(7) 5_656 .
N4 Nd1 Si3 33.1(3) . .
N4 Nd1 Si3 100.5(3) 2_645 .
Si5 Nd1 Si3 134.40(10) 2_645 .
Si5 Nd1 Si3 66.98(10) . .
O2 Nd1 Si3 99.7(3) 6_656 2_645
O2 Nd1 Si3 167.2(3) 5_656 2_645
O3 Nd1 Si3 88.3(2) 2_646 2_645
O3 Nd1 Si3 88.3(2) 1_556 2_645
N3 Nd1 Si3 33.71(7) 5_656 2_645
N4 Nd1 Si3 100.5(3) . 2_645
N4 Nd1 Si3 33.1(3) 2_645 2_645
Si5 Nd1 Si3 66.98(10) 2_645 2_645
Si5 Nd1 Si3 134.40(10) . 2_645
Si3 Nd1 Si3 67.42(13) . 2_645
O2 Nd1 Li5 126.5(5) 6_656 3_646
O2 Nd1 Li5 92.9(5) 5_656 3_646
O3 Nd1 Li5 35.3(6) 2_646 3_646
O3 Nd1 Li5 141.4(6) 1_556 3_646
N3 Nd1 Li5 62.0(5) 5_656 3_646
N4 Nd1 Li5 58.0(5) . 3_646
N4 Nd1 Li5 99.2(5) 2_645 3_646
Si5 Nd1 Li5 117.1(5) 2_645 3_646
Si5 Nd1 Li5 73.6(5) . 3_646
Si3 Nd1 Li5 53.2(5) . 3_646
Si3 Nd1 Li5 79.5(5) 2_645 3_646
F3F Nd2 O3O 0.0 5_655 5_655
F3F Nd2 O1 109.0(4) 5_655 5_655
O3O Nd2 O1 109.0(4) 5_655 5_655
F3F Nd2 O1O 174.3(4) 5_655 .
O3O Nd2 O1O 174.3(4) 5_655 .
O1 Nd2 O1O 76.7(4) 5_655 .
F3F Nd2 N1 96.1(3) 5_655 4_556
O3O Nd2 N1 96.1(3) 5_655 4_556
O1 Nd2 N1 113.5(2) 5_655 4_556
O1O Nd2 N1 81.3(2) . 4_556
F3F Nd2 N1 96.1(3) 5_655 5_656
O3O Nd2 N1 96.1(3) 5_655 5_656
O1 Nd2 N1 113.5(2) 5_655 5_656
O1O Nd2 N1 81.3(2) . 5_656
N1 Nd2 N1 123.8(4) 4_556 5_656
F3F Nd2 N3 81.3(4) 5_655 5_656
O3O Nd2 N3 81.3(4) 5_655 5_656
O1 Nd2 N3 169.8(4) 5_655 5_656
O1O Nd2 N3 93.1(4) . 5_656
N1 Nd2 N3 64.1(2) 4_556 5_656
N1 Nd2 N3 64.1(2) 5_656 5_656
F3F Nd2 N6 80.3(3) 5_655 .
O3O Nd2 N6 80.3(3) 5_655 .
O1 Nd2 N6 62.8(2) 5_655 .
O1O Nd2 N6 102.8(3) . .
N1 Nd2 N6 173.1(3) 4_556 .
N1 Nd2 N6 62.6(2) 5_656 .
N3 Nd2 N6 120.7(2) 5_656 .
F3F Nd2 N6 80.3(3) 5_655 8_755
O3O Nd2 N6 80.3(3) 5_655 8_755
O1 Nd2 N6 62.8(2) 5_655 8_755
O1O Nd2 N6 102.8(3) . 8_755
N1 Nd2 N6 62.6(2) 4_556 8_755
N1 Nd2 N6 173.1(3) 5_656 8_755
N3 Nd2 N6 120.7(2) 5_656 8_755
N6 Nd2 N6 110.8(4) . 8_755
F3F Nd2 Si3 81.1(3) 5_655 .
O3O Nd2 Si3 81.1(3) 5_655 .
O1 Nd2 Si3 146.15(9) 5_655 .
O1O Nd2 Si3 94.1(2) . .
N1 Nd2 Si3 96.7(2) 4_556 .
N1 Nd2 Si3 32.7(2) 5_656 .
N3 Nd2 Si3 32.97(6) 5_656 .
N6 Nd2 Si3 88.49(19) . .
N6 Nd2 Si3 150.3(2) 8_755 .
F3F Nd2 Si3 81.1(3) 5_655 2_645
O3O Nd2 Si3 81.1(3) 5_655 2_645
O1 Nd2 Si3 146.15(9) 5_655 2_645
O1O Nd2 Si3 94.1(2) . 2_645
N1 Nd2 Si3 32.7(2) 4_556 2_645
N1 Nd2 Si3 96.7(2) 5_656 2_645
N3 Nd2 Si3 32.97(6) 5_656 2_645
N6 Nd2 Si3 150.3(2) . 2_645
N6 Nd2 Si3 88.49(19) 8_755 2_645
Si3 Nd2 Si3 65.84(12) . 2_645
F2F Nd3 O2O 0.0(4) 5_656 5_656
F2F Nd3 F2F 180.0(5) 5_656 1_556
O2O Nd3 F2F 180.0(5) 5_656 1_556
F2F Nd3 O2O 180.0(5) 5_656 1_556
O2O Nd3 O2O 180.0(5) 5_656 1_556
F2F Nd3 O2O 0.0(5) 1_556 1_556
F2F Nd3 N7 84.3(3) 5_656 1_556
O2O Nd3 N7 84.3(3) 5_656 1_556
F2F Nd3 N7 95.7(3) 1_556 1_556
O2O Nd3 N7 95.7(3) 1_556 1_556
F2F Nd3 N7 95.7(3) 5_656 5_656
O2O Nd3 N7 95.7(3) 5_656 5_656
F2F Nd3 N7 84.3(3) 1_556 5_656
O2O Nd3 N7 84.3(3) 1_556 5_656
N7 Nd3 N7 180.000(2) 1_556 5_656
F2F Nd3 N1 102.4(3) 5_656 5_656
O2O Nd3 N1 102.4(3) 5_656 5_656
F2F Nd3 N1 77.6(3) 1_556 5_656
O2O Nd3 N1 77.6(3) 1_556 5_656
N7 Nd3 N1 62.4(3) 1_556 5_656
N7 Nd3 N1 117.6(3) 5_656 5_656
F2F Nd3 N1 77.6(3) 5_656 1_556
O2O Nd3 N1 77.6(3) 5_656 1_556
F2F Nd3 N1 102.4(3) 1_556 1_556
O2O Nd3 N1 102.4(3) 1_556 1_556
N7 Nd3 N1 117.6(3) 1_556 1_556
N7 Nd3 N1 62.4(3) 5_656 1_556
N1 Nd3 N1 180.000(1) 5_656 1_556
F2F Nd3 N4 97.5(3) 5_656 5_657
O2O Nd3 N4 97.5(3) 5_656 5_657
F2F Nd3 N4 82.5(3) 1_556 5_657
O2O Nd3 N4 82.5(3) 1_556 5_657
N7 Nd3 N4 62.4(3) 1_556 5_657
N7 Nd3 N4 117.6(3) 5_656 5_657
N1 Nd3 N4 118.3(3) 5_656 5_657
N1 Nd3 N4 61.7(3) 1_556 5_657
F2F Nd3 N4 82.5(3) 5_656 .
O2O Nd3 N4 82.5(3) 5_656 .
F2F Nd3 N4 97.5(3) 1_556 .
O2O Nd3 N4 97.5(3) 1_556 .
N7 Nd3 N4 117.6(3) 1_556 .
N7 Nd3 N4 62.4(3) 5_656 .
N1 Nd3 N4 61.7(3) 5_656 .
N1 Nd3 N4 118.3(3) 1_556 .
N4 Nd3 N4 180.0(6) 5_657 .
F2F Nd3 Li5 40.3(7) 5_656 1_556
O2O Nd3 Li5 40.3(7) 5_656 1_556
F2F Nd3 Li5 139.7(7) 1_556 1_556
O2O Nd3 Li5 139.7(7) 1_556 1_556
N7 Nd3 Li5 81.2(5) 1_556 1_556
N7 Nd3 Li5 98.8(5) 5_656 1_556
N1 Nd3 Li5 132.0(6) 5_656 1_556
N1 Nd3 Li5 48.0(5) 1_556 1_556
N4 Nd3 Li5 60.4(7) 5_657 1_556
N4 Nd3 Li5 119.6(7) . 1_556
F2F Nd3 Li5 139.7(7) 5_656 5_656
O2O Nd3 Li5 139.7(7) 5_656 5_656
F2F Nd3 Li5 40.3(7) 1_556 5_656
O2O Nd3 Li5 40.3(7) 1_556 5_656
N7 Nd3 Li5 98.8(5) 1_556 5_656
N7 Nd3 Li5 81.2(5) 5_656 5_656
N1 Nd3 Li5 48.0(5) 5_656 5_656
N1 Nd3 Li5 132.0(6) 1_556 5_656
N4 Nd3 Li5 119.6(7) 5_657 5_656
N4 Nd3 Li5 60.4(7) . 5_656
Li5 Nd3 Li5 180.000(2) 1_556 5_656
O3 Si1 O3 106.4(8) 2_655 .
O3 Si1 N5 107.9(3) 2_655 .
O3 Si1 N5 107.9(3) . .
O3 Si1 N5 107.9(3) 2_655 2_655
O3 Si1 N5 107.9(3) . 2_655
N5 Si1 N5 118.2(8) . 2_655
O3 Si1 Li5 78.9(8) 2_655 5_655
N5 Si1 Li5 93.9(6) . 5_655
N5 Si1 Li5 141.4(6) 2_655 5_655
O3 Si1 Li5 78.9(8) 2_655 4
N5 Si1 Li5 141.4(6) . 4
N5 Si1 Li5 93.9(6) 2_655 4
Li5 Si1 Li5 49.2(10) 5_655 4
O3 Si1 Li5 78.9(8) . 3_655
N5 Si1 Li5 93.9(6) . 3_655
N5 Si1 Li5 141.4(6) 2_655 3_655
Li5 Si1 Li5 68.5(11) 4 3_655
O3 Si1 Li5 78.9(8) . 6_665
N5 Si1 Li5 141.4(6) . 6_665
N5 Si1 Li5 93.9(6) 2_655 6_665
Li5 Si1 Li5 68.5(11) 5_655 6_665
Li5 Si1 Li5 49.2(10) 3_655 6_665
O3 Si1 Li2 86.9(4) 2_655 .
O3 Si1 Li2 86.9(4) . .
N5 Si1 Li2 154.3(8) 2_655 .
Li5 Si1 Li2 60.7(8) 5_655 .
Li5 Si1 Li2 109.9(8) 4 .
Li5 Si1 Li2 60.7(8) 3_655 .
Li5 Si1 Li2 109.9(8) 6_665 .
O3 Si1 Li2 86.9(4) 2_655 2_655
O3 Si1 Li2 86.9(4) . 2_655
N5 Si1 Li2 154.3(8) . 2_655
Li5 Si1 Li2 109.9(8) 5_655 2_655
Li5 Si1 Li2 60.7(8) 4 2_655
Li5 Si1 Li2 109.9(8) 3_655 2_655
Li5 Si1 Li2 60.7(8) 6_665 2_655
Li2 Si1 Li2 169.6(13) . 2_655
O1 Si2 N6 108.0(4) 5_655 .
O1 Si2 N6 108.0(4) 5_655 7_565
N6 Si2 N6 111.8(7) . 7_565
O1 Si2 N5 112.3(7) 5_655 .
N6 Si2 N5 108.4(4) . .
N6 Si2 N5 108.4(4) 7_565 .
O1 Si2 Li4 122.6(6) 5_655 5_655
N6 Si2 Li4 54.4(7) . 5_655
N6 Si2 Li4 129.4(7) 7_565 5_655
N5 Si2 Li4 54.1(6) . 5_655
O1 Si2 Li4 122.6(6) 5_655 3_655
N6 Si2 Li4 129.4(7) . 3_655
N6 Si2 Li4 54.4(7) 7_565 3_655
N5 Si2 Li4 54.1(6) . 3_655
Li4 Si2 Li4 94.5(13) 5_655 3_655
O1 Si2 Li1 153.0(9) 5_655 1_556
N6 Si2 Li1 60.8(4) . 1_556
N6 Si2 Li1 60.8(4) 7_565 1_556
N5 Si2 Li1 94.8(8) . 1_556
Li4 Si2 Li1 73.0(7) 5_655 1_556
Li4 Si2 Li1 73.0(7) 3_655 1_556
O1 Si2 Nd2 45.5(3) 5_655 2_655
N6 Si2 Nd2 121.3(3) . 2_655
N6 Si2 Nd2 62.6(3) 7_565 2_655
N5 Si2 Nd2 129.5(3) . 2_655
Li4 Si2 Nd2 167.6(6) 5_655 2_655
Li4 Si2 Nd2 96.2(6) 3_655 2_655
Li1 Si2 Nd2 116.2(6) 1_556 2_655
O1 Si2 Nd2 45.5(3) 5_655 .
N6 Si2 Nd2 62.6(3) . .
N6 Si2 Nd2 121.3(3) 7_565 .
N5 Si2 Nd2 129.5(3) . .
Li4 Si2 Nd2 96.2(6) 5_655 .
Li4 Si2 Nd2 167.6(6) 3_655 .
Li1 Si2 Nd2 116.2(6) 1_556 .
Nd2 Si2 Nd2 72.50(9) 2_655 .
N4 Si3 N1 106.9(4) . 3_646
N4 Si3 N1 106.9(4) . 5_656
N1 Si3 N1 115.5(6) 3_646 5_656
N4 Si3 N3 110.4(8) . 5_656
N1 Si3 N3 108.5(4) 3_646 5_656
N1 Si3 N3 108.5(4) 5_656 5_656
N4 Si3 Li5 75.2(6) . 5_656
N1 Si3 Li5 170.4(6) 3_646 5_656
N1 Si3 Li5 55.3(6) 5_656 5_656
N3 Si3 Li5 78.9(6) 5_656 5_656
N4 Si3 Li5 75.2(6) . 3_646
N1 Si3 Li5 55.3(6) 3_646 3_646
N1 Si3 Li5 170.4(6) 5_656 3_646
N3 Si3 Li5 78.9(6) 5_656 3_646
Li5 Si3 Li5 133.6(11) 5_656 3_646
N4 Si3 Nd1 58.3(4) . .
N1 Si3 Nd1 122.2(3) 3_646 .
N1 Si3 Nd1 122.2(3) 5_656 .
N3 Si3 Nd1 52.1(6) 5_656 .
Li5 Si3 Nd1 67.1(5) 5_656 .
Li5 Si3 Nd1 67.1(6) 3_646 .
N4 Si3 Nd2 139.76(18) . .
N1 Si3 Nd2 113.1(3) 3_646 .
N1 Si3 Nd2 52.0(3) 5_656 .
N3 Si3 Nd2 60.1(4) 5_656 .
Li5 Si3 Nd2 64.7(5) 5_656 .
Li5 Si3 Nd2 131.9(5) 3_646 .
Nd1 Si3 Nd2 100.95(9) . .
N4 Si3 Nd2 139.76(18) . 2_645
N1 Si3 Nd2 52.0(3) 3_646 2_645
N1 Si3 Nd2 113.1(3) 5_656 2_645
N3 Si3 Nd2 60.1(4) 5_656 2_645
Li5 Si3 Nd2 131.9(5) 5_656 2_645
Li5 Si3 Nd2 64.7(5) 3_646 2_645
Nd1 Si3 Nd2 100.95(9) . 2_645
Nd2 Si3 Nd2 73.20(9) . 2_645
N4 Si3 Nd3 56.1(3) . 3_647
N1 Si3 Nd3 53.6(3) 3_646 3_647
N1 Si3 Nd3 112.7(3) 5_656 3_647
N3 Si3 Nd3 138.8(3) 5_656 3_647
Li5 Si3 Nd3 124.6(5) 5_656 3_647
Li5 Si3 Nd3 60.3(5) 3_646 3_647
Nd1 Si3 Nd3 102.31(9) . 3_647
Nd2 Si3 Nd3 156.71(13) . 3_647
Nd2 Si3 Nd3 103.21(4) 2_645 3_647
N4 Si3 Nd3 56.1(3) . .
N1 Si3 Nd3 112.7(3) 3_646 .
N1 Si3 Nd3 53.6(3) 5_656 .
N3 Si3 Nd3 138.8(3) 5_656 .
Li5 Si3 Nd3 60.3(5) 5_656 .
Li5 Si3 Nd3 124.6(5) 3_646 .
Nd1 Si3 Nd3 102.31(9) . .
Nd2 Si3 Nd3 103.21(4) . .
Nd2 Si3 Nd3 156.71(13) 2_645 .
Nd3 Si3 Nd3 70.72(7) 3_647 .
N6 Si4 N7 113.6(5) . 1_556
N6 Si4 N2 107.9(5) . .
N7 Si4 N2 108.9(5) 1_556 .
N6 Si4 N1 108.7(4) . 5_656
N7 Si4 N1 104.2(4) 1_556 5_656
N2 Si4 N1 113.6(5) . 5_656
N6 Si4 Li3 65.6(6) . 5_655
N7 Si4 Li3 154.9(8) 1_556 5_655
N2 Si4 Li3 52.3(7) . 5_655
N1 Si4 Li3 99.3(8) 5_656 5_655
N6 Si4 Li2 147.9(8) . 5_656
N7 Si4 Li2 61.4(5) 1_556 5_656
N2 Si4 Li2 53.0(6) . 5_656
N1 Si4 Li2 103.1(8) 5_656 5_656
Li3 Si4 Li2 105.0(7) 5_655 5_656
N6 Si4 Li1 51.6(7) . 1_556
N7 Si4 Li1 63.1(7) 1_556 1_556
N2 Si4 Li1 115.3(6) . 1_556
N1 Si4 Li1 130.9(6) 5_656 1_556
Li3 Si4 Li1 106.9(9) 5_655 1_556
Li2 Si4 Li1 108.9(7) 5_656 1_556
N6 Si4 Li4 105.5(6) . 1_556
N2 Si4 Li4 76.2(7) . 1_556
N1 Si4 Li4 138.5(5) 5_656 1_556
Li3 Si4 Li4 115.9(9) 5_655 1_556
Li2 Si4 Li4 48.9(8) 5_656 1_556
Li1 Si4 Li4 60.1(8) 1_556 1_556
N6 Si4 Li1 84.4(6) . 5_655
N7 Si4 Li1 97.4(6) 1_556 5_655
N1 Si4 Li1 146.9(4) 5_656 5_655
Li3 Si4 Li1 57.5(9) 5_655 5_655
Li2 Si4 Li1 66.0(9) 5_656 5_655
Li1 Si4 Li1 81.3(2) 1_556 5_655
Li4 Si4 Li1 58.5(7) 1_556 5_655
N6 Si4 Nd2 61.3(3) . .
N7 Si4 Nd2 137.7(4) 1_556 .
N2 Si4 Nd2 112.4(4) . .
N1 Si4 Nd2 50.3(3) 5_656 .
Li3 Si4 Nd2 65.8(7) 5_655 .
Li2 Si4 Nd2 145.6(6) 5_656 .
Li1 Si4 Nd2 105.4(5) 1_556 .
Li4 Si4 Nd2 165.5(6) 1_556 .
Li1 Si4 Nd2 122.0(5) 5_655 .
N6 Si4 Nd3 140.9(4) . .
N7 Si4 Nd3 53.1(3) 1_556 .
N2 Si4 Nd3 111.2(4) . .
N1 Si4 Nd3 54.1(3) 5_656 .
Li3 Si4 Nd3 143.7(7) 5_655 .
Li2 Si4 Nd3 64.7(7) 5_656 .
Li1 Si4 Nd3 109.4(6) 1_556 .
Li4 Si4 Nd3 84.5(4) 1_556 .
Li1 Si4 Nd3 130.4(5) 5_655 .
Nd2 Si4 Nd3 102.19(7) . .
O2 Si5 N7 108.0(4) 5_656 3_646
O2 Si5 N7 108.0(4) 5_656 5_656
N7 Si5 N7 116.6(7) 3_646 5_656
O2 Si5 N4 108.7(6) 5_656 .
N7 Si5 N4 107.7(4) 3_646 .
N7 Si5 N4 107.7(4) 5_656 .
O2 Si5 Li4 55.5(6) 5_656 5_656
N7 Si5 Li4 134.8(7) 3_646 5_656
N7 Si5 Li4 52.7(7) 5_656 5_656
N4 Si5 Li4 117.4(6) . 5_656
O2 Si5 Li4 55.5(6) 5_656 3_646
N7 Si5 Li4 52.7(7) 3_646 3_646
N7 Si5 Li4 134.8(7) 5_656 3_646
N4 Si5 Li4 117.4(6) . 3_646
Li4 Si5 Li4 100.7(13) 5_656 3_646
O2 Si5 Li1 82.8(8) 5_656 5_656
N7 Si5 Li1 67.5(4) 3_646 5_656
N7 Si5 Li1 67.5(4) 5_656 5_656
N4 Si5 Li1 168.6(8) . 5_656
Li4 Si5 Li1 68.7(7) 5_656 5_656
Li4 Si5 Li1 68.7(7) 3_646 5_656
O2 Si5 Nd1 49.4(4) 5_656 .
N7 Si5 Nd1 121.6(3) 3_646 .
N7 Si5 Nd1 121.6(4) 5_656 .
N4 Si5 Nd1 59.3(4) . .
Li4 Si5 Nd1 81.7(5) 5_656 .
Li4 Si5 Nd1 81.7(5) 3_646 .
Li1 Si5 Nd1 132.2(6) 5_656 .
O2 Si5 Nd3 138.2(2) 5_656 3_647
N7 Si5 Nd3 53.7(3) 3_646 3_647
N7 Si5 Nd3 113.8(3) 5_656 3_647
N4 Si5 Nd3 57.2(3) . 3_647
Li4 Si5 Nd3 165.2(6) 5_656 3_647
Li4 Si5 Nd3 93.7(6) 3_646 3_647
Li1 Si5 Nd3 114.3(5) 5_656 3_647
Nd1 Si5 Nd3 104.02(10) . 3_647
O2 Si5 Nd3 138.2(2) 5_656 .
N7 Si5 Nd3 113.8(3) 3_646 .
N7 Si5 Nd3 53.7(3) 5_656 .
N4 Si5 Nd3 57.2(3) . .
Li4 Si5 Nd3 93.7(6) 5_656 .
Li4 Si5 Nd3 165.2(6) 3_646 .
Li1 Si5 Nd3 114.3(5) 5_656 .
Nd1 Si5 Nd3 104.02(10) . .
Nd3 Si5 Nd3 71.68(8) 3_647 .
Si3 N1 Si4 124.8(5) 5_656 5_656
Si3 N1 Li5 88.0(9) 5_656 .
Si4 N1 Li5 146.7(9) 5_656 .
Si3 N1 Nd2 95.3(3) 5_656 5_656
Si4 N1 Nd2 97.5(4) 5_656 5_656
Li5 N1 Nd2 83.3(7) . 5_656
Si3 N1 Nd3 94.7(4) 5_656 1_554
Si4 N1 Nd3 93.6(3) 5_656 1_554
Li5 N1 Nd3 76.4(7) . 1_554
Nd2 N1 Nd3 157.0(4) 5_656 1_554
Si4 N2 Si4 127.6(7) . 7
Si4 N2 Li1 115.8(4) . 5_655
Si4 N2 Li1 115.8(4) 7 5_655
Si4 N2 Li3 87.0(6) . 5_655
Si4 N2 Li3 87.0(6) 7 5_655
Li1 N2 Li3 87.6(14) 5_655 5_655
Si4 N2 Li2 89.2(6) . 5_656
Si4 N2 Li2 89.2(6) 7 5_656
Li1 N2 Li2 100.9(14) 5_655 5_656
Li3 N2 Li2 171.4(15) 5_655 5_656
Si3 N3 Si3 171.7(12) 5_656 6_566
Si3 N3 Nd1 94.2(6) 5_656 5_656
Si3 N3 Nd1 94.2(6) 6_566 5_656
Si3 N3 Nd2 87.0(5) 5_656 6_566
Si3 N3 Nd2 87.0(5) 6_566 6_566
Nd1 N3 Nd2 136.6(3) 5_656 6_566
Si3 N3 Nd2 87.0(5) 5_656 5_656
Si3 N3 Nd2 87.0(5) 6_566 5_656
Nd1 N3 Nd2 136.6(3) 5_656 5_656
Nd2 N3 Nd2 86.8(5) 6_566 5_656
Si3 N4 Si5 175.5(8) . .
Si3 N4 Nd1 88.7(5) . .
Si5 N4 Nd1 86.8(5) . .
Si3 N4 Nd3 92.6(4) . 3_647
Si5 N4 Nd3 90.6(4) . 3_647
Nd1 N4 Nd3 135.82(18) . 3_647
Si3 N4 Nd3 92.6(4) . .
Si5 N4 Nd3 90.6(4) . .
Nd1 N4 Nd3 135.82(19) . .
Nd3 N4 Nd3 88.3(4) 3_647 .
Si2 N5 Si1 122.1(7) . .
Si2 N5 Li2 125.9(12) . .
Si1 N5 Li2 112.0(12) . .
Si2 N5 Li4 83.0(8) . 5_655
Si1 N5 Li4 114.8(7) . 5_655
Li2 N5 Li4 74.4(8) . 5_655
Si2 N5 Li4 83.0(8) . 3_655
Si1 N5 Li4 114.8(8) . 3_655
Li2 N5 Li4 74.4(8) . 3_655
Li4 N5 Li4 128.2(15) 5_655 3_655
Si2 N6 Si4 149.5(7) . .
Si2 N6 Li4 83.1(9) . 5_655
Si4 N6 Li4 125.7(10) . 5_655
Si2 N6 Li1 78.1(6) . 1_556
Si4 N6 Li1 92.0(8) . 1_556
Li4 N6 Li1 87.9(11) 5_655 1_556
Si2 N6 Li3 130.1(9) . 5_655
Si4 N6 Li3 75.4(9) . 5_655
Li4 N6 Li3 69.8(13) 5_655 5_655
Li1 N6 Li3 138.6(10) 1_556 5_655
Si2 N6 Nd2 85.4(4) . .
Si4 N6 Nd2 87.0(3) . .
Li4 N6 Nd2 120.4(8) 5_655 .
Li1 N6 Nd2 145.3(8) 1_556 .
Li3 N6 Nd2 74.4(9) 5_655 .
Si5 N7 Si4 149.5(7) 5_656 1_554
Si5 N7 Li4 85.2(10) 5_656 .
Si4 N7 Li4 108.9(9) 1_554 .
Si5 N7 Li2 128.9(8) 5_656 5_655
Si4 N7 Li2 81.4(8) 1_554 5_655
Li4 N7 Li2 64.2(12) . 5_655
Si5 N7 Li1 75.3(6) 5_656 .
Si4 N7 Li1 81.0(6) 1_554 .
Li4 N7 Li1 78.8(10) . .
Li2 N7 Li1 130.6(10) 5_655 .
Si5 N7 Nd3 94.7(4) 5_656 1_554
Si4 N7 Nd3 95.4(4) 1_554 1_554
Li4 N7 Nd3 131.6(9) . 1_554
Li2 N7 Nd3 79.5(9) 5_655 1_554
Li1 N7 Nd3 147.8(7) . 1_554
Si2 O1 Si2 133.1(10) 5_655 6
Si2 O1 Nd2 103.66(18) 5_655 6
Si2 O1 Nd2 103.66(18) 6 6
Si2 O1 Nd2 103.66(18) 5_655 5_655
Si2 O1 Nd2 103.66(18) 6 5_655
Nd2 O1 Nd2 107.2(6) 6 5_655
Si5 O2 Li3 126.8(12) 5_656 .
Si5 O2 Li4 83.2(7) 5_656 7_565
Li3 O2 Li4 77.7(8) . 7_565
Si5 O2 Li4 83.2(7) 5_656 .
Li3 O2 Li4 77.7(8) . .
Li4 O2 Li4 136.1(14) 7_565 .
Si5 O2 Nd1 97.8(5) 5_656 5_656
Li3 O2 Nd1 135.3(11) . 5_656
Li4 O2 Nd1 111.6(7) 7_565 5_656
Li4 O2 Nd1 111.6(7) . 5_656
Si1 O3 Li5 111.6(11) . 4
Si1 O3 Li5 111.6(11) . 5_655
Li5 O3 Li5 80.0(16) 4 5_655
Si1 O3 Nd1 141.1(6) . 1_554
Li5 O3 Nd1 97.8(11) 4 1_554
Li5 O3 Nd1 97.8(11) 5_655 1_554
Li5 O1O Li5 64.2(18) 4_556 6_666
Li5 O1O Li5 104.4(17) 4_556 3_656
Li5 O1O Li5 71.6(15) 6_666 3_656
Li5 O1O Li5 71.6(15) 4_556 5_656
Li5 O1O Li5 104.4(17) 6_666 5_656
Li5 O1O Li5 64.2(18) 3_656 5_656
Li5 O1O Nd2 89.5(9) 4_556 .
Li5 O1O Nd2 143.3(8) 6_666 .
Li5 O1O Nd2 143.3(8) 3_656 .
Li5 O1O Nd2 89.5(9) 5_656 .
Li5 O1O Nd2 143.3(8) 4_556 2_655
Li5 O1O Nd2 89.5(9) 6_666 2_655
Li5 O1O Nd2 89.5(9) 3_656 2_655
Li5 O1O Nd2 143.3(8) 5_656 2_655
Nd2 O1O Nd2 99.3(6) . 2_655
Li2 O2O Li5 99.7(11) . 3_655
Li2 O2O Li5 99.7(11) . 5_655
Li5 O2O Li5 68.6(19) 3_655 5_655
Li2 O2O Nd3 96.0(6) . 1_554
Li5 O2O Nd3 155.5(10) 3_655 1_554
Li5 O2O Nd3 90.4(9) 5_655 1_554
Li2 O2O Nd3 96.0(6) . 3_656
Li5 O2O Nd3 90.4(9) 3_655 3_656
Li5 O2O Nd3 155.5(10) 5_655 3_656
Nd3 O2O Nd3 106.6(4) 1_554 3_656
Li3 O3O Li3 143(2) . 2
Li3 O3O Nd2 100.5(7) . 5_655
Li3 O3O Nd2 100.5(7) 2 5_655
Li3 O3O Nd2 100.5(7) . 6_565
Li3 O3O Nd2 100.5(7) 2 6_565
Nd2 O3O Nd2 110.7(6) 5_655 6_565
N2 Li1 N6 117.9(12) 5_655 7_564
N2 Li1 N6 117.9(12) 5_655 1_554
N6 Li1 N6 77.2(10) 7_564 1_554
N2 Li1 Si2 111.4(14) 5_655 1_554
N6 Li1 Si2 41.1(5) 7_564 1_554
N6 Li1 Si2 41.1(5) 1_554 1_554
N2 Li1 N7 129.5(10) 5_655 .
N6 Li1 N7 112.5(13) 7_564 .
N6 Li1 N7 71.8(7) 1_554 .
Si2 Li1 N7 105.3(10) 1_554 .
N2 Li1 N7 129.5(10) 5_655 7_565
N6 Li1 N7 71.8(7) 7_564 7_565
N6 Li1 N7 112.5(13) 1_554 7_565
Si2 Li1 N7 105.3(10) 1_554 7_565
N7 Li1 N7 67.7(9) . 7_565
N2 Li1 Si5 123.5(13) 5_655 5_656
N6 Li1 Si5 105.2(10) 7_564 5_656
N6 Li1 Si5 105.2(10) 1_554 5_656
Si2 Li1 Si5 125.1(12) 1_554 5_656
N7 Li1 Si5 37.2(5) . 5_656
N7 Li1 Si5 37.2(5) 7_565 5_656
N2 Li1 Li3 48.5(11) 5_655 .
N6 Li1 Li3 141.1(5) 7_564 .
N6 Li1 Li3 141.1(6) 1_554 .
Si2 Li1 Li3 159.9(16) 1_554 .
N7 Li1 Li3 91.3(10) . .
N7 Li1 Li3 91.3(10) 7_565 .
Si5 Li1 Li3 75.1(11) 5_656 .
N2 Li1 Si4 128.5(5) 5_655 7_564
N6 Li1 Si4 36.4(4) 7_564 7_564
N6 Li1 Si4 99.8(10) 1_554 7_564
Si2 Li1 Si4 74.6(6) 1_554 7_564
N7 Li1 Si4 93.5(10) . 7_564
N7 Li1 Si4 35.9(3) 7_565 7_564
Si5 Li1 Si4 72.0(7) 5_656 7_564
Li3 Li1 Si4 116.3(8) . 7_564
N2 Li1 Si4 128.5(5) 5_655 1_554
N6 Li1 Si4 99.8(10) 7_564 1_554
N6 Li1 Si4 36.4(4) 1_554 1_554
Si2 Li1 Si4 74.6(6) 1_554 1_554
N7 Li1 Si4 35.9(3) . 1_554
N7 Li1 Si4 93.5(10) 7_565 1_554
Si5 Li1 Si4 72.0(7) 5_656 1_554
Li3 Li1 Si4 116.3(8) . 1_554
Si4 Li1 Si4 102.8(10) 7_564 1_554
N2 Li1 Li4 87.8(10) 5_655 .
N6 Li1 Li4 154.0(15) 7_564 .
N6 Li1 Li4 94.5(7) 1_554 .
Si2 Li1 Li4 135.6(8) 1_554 .
N7 Li1 Li4 42.0(6) . .
N7 Li1 Li4 89.3(10) 7_565 .
Si5 Li1 Li4 52.6(7) 5_656 .
Li3 Li1 Li4 53.9(8) . .
Si4 Li1 Li4 124.6(12) 7_564 .
Si4 Li1 Li4 62.7(6) 1_554 .
N2 Li1 Li4 87.8(10) 5_655 7_565
N6 Li1 Li4 94.5(7) 7_564 7_565
N6 Li1 Li4 154.0(15) 1_554 7_565
Si2 Li1 Li4 135.6(8) 1_554 7_565
N7 Li1 Li4 89.3(10) . 7_565
N7 Li1 Li4 42.0(6) 7_565 7_565
Si5 Li1 Li4 52.6(7) 5_656 7_565
Li3 Li1 Li4 53.9(8) . 7_565
Si4 Li1 Li4 62.7(6) 7_564 7_565
Si4 Li1 Li4 124.6(12) 1_554 7_565
Li4 Li1 Li4 82.1(13) . 7_565
N5 Li2 O2O 121.8(17) . .
N5 Li2 N2 107.0(16) . 5_656
O2O Li2 N2 131.1(17) . 5_656
N5 Li2 Li4 54.3(9) . 3_655
O2O Li2 Li4 123.7(11) . 3_655
N2 Li2 Li4 83.9(11) 5_656 3_655
N5 Li2 Li4 54.3(9) . 5_655
O2O Li2 Li4 123.7(11) . 5_655
N2 Li2 Li4 83.9(11) 5_656 5_655
Li4 Li2 Li4 98.6(18) 3_655 5_655
N5 Li2 N7 102.6(9) . 5_655
O2O Li2 N7 95.7(9) . 5_655
N2 Li2 N7 72.3(8) 5_656 5_655
Li4 Li2 N7 140.3(16) 3_655 5_655
Li4 Li2 N7 48.7(7) 5_655 5_655
N5 Li2 N7 102.6(9) . 3_655
O2O Li2 N7 95.7(9) . 3_655
N2 Li2 N7 72.3(8) 5_656 3_655
Li4 Li2 N7 48.7(7) 3_655 3_655
Li4 Li2 N7 140.3(16) 5_655 3_655
N7 Li2 N7 141.1(15) 5_655 3_655
N5 Li2 Si4 119.3(13) . 5_656
O2O Li2 Si4 108.4(12) . 5_656
N2 Li2 Si4 37.8(5) 5_656 5_656
Li4 Li2 Si4 120.5(14) 3_655 5_656
Li4 Li2 Si4 70.9(8) 5_655 5_656
N7 Li2 Si4 37.3(4) 5_655 5_656
N7 Li2 Si4 104.0(11) 3_655 5_656
N5 Li2 Si4 119.3(13) . 3_656
O2O Li2 Si4 108.4(12) . 3_656
N2 Li2 Si4 37.8(5) 5_656 3_656
Li4 Li2 Si4 70.9(8) 3_655 3_656
Li4 Li2 Si4 120.5(14) 5_655 3_656
N7 Li2 Si4 104.0(11) 5_655 3_656
N7 Li2 Si4 37.3(4) 3_655 3_656
Si4 Li2 Si4 66.8(8) 5_656 3_656
N5 Li2 Li5 87.4(12) . 5_655
O2O Li2 Li5 40.1(8) . 5_655
N2 Li2 Li5 154.3(10) 5_656 5_655
Li4 Li2 Li5 121.5(14) 3_655 5_655
Li4 Li2 Li5 87.9(10) 5_655 5_655
N7 Li2 Li5 84.1(9) 5_655 5_655
N7 Li2 Li5 126.2(12) 3_655 5_655
Si4 Li2 Li5 116.6(8) 5_656 5_655
Si4 Li2 Li5 148.5(13) 3_656 5_655
N5 Li2 Li5 87.4(12) . 3_655
O2O Li2 Li5 40.1(8) . 3_655
N2 Li2 Li5 154.3(10) 5_656 3_655
Li4 Li2 Li5 87.9(10) 3_655 3_655
Li4 Li2 Li5 121.5(14) 5_655 3_655
N7 Li2 Li5 126.2(12) 5_655 3_655
N7 Li2 Li5 84.1(9) 3_655 3_655
Si4 Li2 Li5 148.5(13) 5_656 3_655
Si4 Li2 Li5 116.6(8) 3_656 3_655
Li5 Li2 Li5 43.2(14) 5_655 3_655
O3O Li3 O2 106.8(18) . .
O3O Li3 N2 134(2) . 5_655
O2 Li3 N2 119.2(18) . 5_655
O3O Li3 N6 99.7(9) . 3_655
O2 Li3 N6 99.1(9) . 3_655
N2 Li3 N6 74.2(8) 5_655 3_655
O3O Li3 N6 99.7(9) . 5_655
O2 Li3 N6 99.1(9) . 5_655
N2 Li3 N6 74.2(8) 5_655 5_655
N6 Li3 N6 148.3(16) 3_655 5_655
O3O Li3 Li4 114.6(12) . 7_565
O2 Li3 Li4 51.8(9) . 7_565
N2 Li3 Li4 94.9(12) 5_655 7_565
N6 Li3 Li4 47.5(7) 3_655 7_565
N6 Li3 Li4 139.5(16) 5_655 7_565
O3O Li3 Li4 114.6(12) . .
O2 Li3 Li4 51.8(9) . .
N2 Li3 Li4 94.9(12) 5_655 .
N6 Li3 Li4 139.5(16) 3_655 .
N6 Li3 Li4 47.5(7) 5_655 .
Li4 Li3 Li4 96.6(18) 7_565 .
O3O Li3 Si4 108.7(14) . 5_655
O2 Li3 Si4 128.3(12) . 5_655
N2 Li3 Si4 40.6(6) 5_655 5_655
N6 Li3 Si4 110.4(13) 3_655 5_655
N6 Li3 Si4 39.0(4) 5_655 5_655
Li4 Li3 Si4 133.7(15) 7_565 5_655
Li4 Li3 Si4 79.5(7) . 5_655
O3O Li3 Si4 108.7(14) . 3_655
O2 Li3 Si4 128.3(12) . 3_655
N2 Li3 Si4 40.6(6) 5_655 3_655
N6 Li3 Si4 39.0(4) 3_655 3_655
N6 Li3 Si4 110.4(13) 5_655 3_655
Li4 Li3 Si4 79.5(7) 7_565 3_655
Li4 Li3 Si4 133.7(15) . 3_655
Si4 Li3 Si4 71.6(9) 5_655 3_655
O3O Li3 Li1 178(2) . .
O2 Li3 Li1 75.3(13) . .
N2 Li3 Li1 43.9(10) 5_655 .
N6 Li3 Li1 79.9(8) 3_655 .
N6 Li3 Li1 79.9(8) 5_655 .
Li4 Li3 Li1 66.7(10) 7_565 .
Li4 Li3 Li1 66.7(10) . .
Si4 Li3 Li1 69.6(9) 5_655 .
Si4 Li3 Li1 69.6(9) 3_655 .
O3O Li3 Nd2 44.6(6) . 5_655
O2 Li3 Nd2 125.1(11) . 5_655
N2 Li3 Nd2 102.5(12) 5_655 5_655
N6 Li3 Nd2 127.0(13) 3_655 5_655
N6 Li3 Nd2 58.1(5) 5_655 5_655
Li4 Li3 Nd2 159.1(13) 7_565 5_655
Li4 Li3 Nd2 93.3(7) . 5_655
Si4 Li3 Nd2 66.3(6) 5_655 5_655
Si4 Li3 Nd2 106.6(12) 3_655 5_655
Li1 Li3 Nd2 134.2(9) . 5_655
N7 Li4 N5 118.0(14) . 5_655
N7 Li4 N6 131.5(12) . 5_655
N5 Li4 N6 85.2(12) 5_655 5_655
N7 Li4 O2 83.1(12) . .
N5 Li4 O2 132.7(12) 5_655 .
N6 Li4 O2 112.9(13) 5_655 .
N7 Li4 Li2 67.1(10) . 5_655
N5 Li4 Li2 51.3(10) 5_655 5_655
N6 Li4 Li2 114.6(15) 5_655 5_655
O2 Li4 Li2 132.5(13) . 5_655
N7 Li4 Si2 142.5(15) . 5_655
N5 Li4 Si2 42.8(7) 5_655 5_655
N6 Li4 Si2 42.5(6) 5_655 5_655
O2 Li4 Si2 134.3(11) . 5_655
Li2 Li4 Si2 83.4(12) 5_655 5_655
N7 Li4 Si5 42.1(6) . 5_656
N5 Li4 Si5 137.3(12) 5_655 5_656
N6 Li4 Si5 137.4(14) 5_655 5_656
O2 Li4 Si5 41.2(6) . 5_656
Li2 Li4 Si5 99.7(10) 5_655 5_656
Si2 Li4 Si5 175.3(11) 5_655 5_656
N7 Li4 Li3 111.7(15) . .
N5 Li4 Li3 130.3(13) 5_655 .
N6 Li4 Li3 62.7(10) 5_655 .
O2 Li4 Li3 50.5(10) . .
Li2 Li4 Li3 175.5(15) 5_655 .
Si2 Li4 Li3 95.9(10) 5_655 .
Si5 Li4 Li3 81.3(11) 5_656 .
N7 Li4 Li1 59.2(9) . .
N5 Li4 Li1 156.6(13) 5_655 .
N6 Li4 Li1 82.5(10) 5_655 .
O2 Li4 Li1 70.6(10) . .
Li2 Li4 Li1 117.4(12) 5_655 .
Si2 Li4 Li1 123.0(10) 5_655 .
Si5 Li4 Li1 58.7(8) 5_656 .
Li3 Li4 Li1 59.4(11) . .
N7 Li4 Li1 93.7(10) . 5_654
N5 Li4 Li1 75.5(10) 5_655 5_654
N6 Li4 Li1 48.9(9) 5_655 5_654
O2 Li4 Li1 149.2(13) . 5_654
Li2 Li4 Li1 71.9(12) 5_655 5_654
Si2 Li4 Li1 53.9(8) 5_655 5_654
Si5 Li4 Li1 130.3(10) 5_656 5_654
Li3 Li4 Li1 104.1(12) . 5_654
Li1 Li4 Li1 81.4(6) . 5_654
N7 Li4 Si4 32.1(5) . 1_554
N5 Li4 Si4 106.9(12) 5_655 1_554
N6 Li4 Si4 103.2(9) 5_655 1_554
O2 Li4 Si4 110.2(11) . 1_554
Li2 Li4 Si4 60.2(9) 5_655 1_554
Si2 Li4 Si4 112.9(10) 5_655 1_554
Si5 Li4 Si4 71.8(6) 5_656 1_554
Li3 Li4 Si4 116.3(12) . 1_554
Li1 Li4 Si4 57.2(6) . 1_554
Li1 Li4 Si4 61.5(7) 5_654 1_554
N7 Li4 Nd1 90.5(9) . 5_656
N5 Li4 Nd1 98.1(8) 5_655 5_656
N6 Li4 Nd1 130.1(10) 5_655 5_656
O2 Li4 Nd1 36.5(5) . 5_656
Li2 Li4 Nd1 105.3(10) 5_655 5_656
Si2 Li4 Nd1 120.3(8) 5_655 5_656
Si5 Li4 Nd1 55.6(5) 5_656 5_656
Li3 Li4 Nd1 78.9(10) . 5_656
Li1 Li4 Nd1 105.1(10) . 5_656
Li1 Li4 Nd1 173.4(11) 5_654 5_656
Si4 Li4 Nd1 122.6(8) 1_554 5_656
O3 Li5 F2F 121.1(15) 5_655 5_655
O3 Li5 O2O 121.1(15) 5_655 5_655
F2F Li5 O2O 0.0(6) 5_655 5_655
O3 Li5 F1F 98.4(12) 5_655 5_656
F2F Li5 F1F 103.8(15) 5_655 5_656
O2O Li5 F1F 103.8(15) 5_655 5_656
O3 Li5 O1O 98.4(12) 5_655 5_656
F2F Li5 O1O 103.8(15) 5_655 5_656
O2O Li5 O1O 103.8(15) 5_655 5_656
F1F Li5 O1O 0.0(7) 5_656 5_656
O3 Li5 Li5 96.2(11) 5_655 7
F2F Li5 Li5 55.7(9) 5_655 7
O2O Li5 Li5 55.7(9) 5_655 7
F1F Li5 Li5 57.9(9) 5_656 7
O1O Li5 Li5 57.9(9) 5_656 7
O3 Li5 N1 141.8(18) 5_655 .
F2F Li5 N1 91.1(10) 5_655 .
O2O Li5 N1 91.1(10) 5_655 .
F1F Li5 N1 92.3(10) 5_656 .
O1O Li5 N1 92.3(10) 5_656 .
Li5 Li5 N1 120.2(8) 7 .
O3 Li5 Li5 50.0(8) 5_655 8_655
F2F Li5 Li5 145.2(9) 5_655 8_655
O2O Li5 Li5 145.2(9) 5_655 8_655
F1F Li5 Li5 54.2(8) 5_656 8_655
O1O Li5 Li5 54.2(8) 5_656 8_655
Li5 Li5 Li5 90.000(2) 7 8_655
N1 Li5 Li5 114.2(7) . 8_655
O3 Li5 Si3 106.2(14) 5_655 5_656
F2F Li5 Si3 114.5(12) 5_655 5_656
O2O Li5 Si3 114.5(12) 5_655 5_656
F1F Li5 Si3 111.5(11) 5_656 5_656
O1O Li5 Si3 111.5(11) 5_656 5_656
Li5 Li5 Si3 156.8(6) 7 5_656
N1 Li5 Si3 36.6(5) . 5_656
Li5 Li5 Si3 99.6(5) 8_655 5_656
O3 Li5 Si1 31.4(6) 5_655 5_655
F2F Li5 Si1 92.9(11) 5_655 5_655
O2O Li5 Si1 92.9(11) 5_655 5_655
F1F Li5 Si1 93.5(11) 5_656 5_655
O1O Li5 Si1 93.5(11) 5_656 5_655
Li5 Li5 Si1 67.8(7) 7 5_655
N1 Li5 Si1 171.9(15) . 5_655
Li5 Li5 Si1 65.4(5) 8_655 5_655
Si3 Li5 Si1 135.4(11) 5_656 5_655
O3 Li5 Li2 83.2(11) 5_655 5_655
F2F Li5 Li2 40.1(8) 5_655 5_655
O2O Li5 Li2 40.1(8) 5_655 5_655
F1F Li5 Li2 126.2(15) 5_656 5_655
O1O Li5 Li2 126.2(15) 5_656 5_655
Li5 Li5 Li2 68.4(7) 7 5_655
N1 Li5 Li2 118.9(11) . 5_655
Li5 Li5 Li2 126.6(8) 8_655 5_655
Si3 Li5 Li2 119.6(10) 5_656 5_655
Si1 Li5 Li2 61.2(8) 5_655 5_655
O3 Li5 Nd3 129.8(12) 5_655 1_554
F2F Li5 Nd3 49.4(6) 5_655 1_554
O2O Li5 Nd3 49.4(6) 5_655 1_554
F1F Li5 Nd3 131.3(12) 5_656 1_554
O1O Li5 Nd3 131.3(12) 5_656 1_554
Li5 Li5 Nd3 104.2(6) 7 1_554
N1 Li5 Nd3 55.6(6) . 1_554
Li5 Li5 Nd3 165.4(6) 8_655 1_554
Si3 Li5 Nd3 66.0(6) 5_656 1_554
Si1 Li5 Nd3 123.0(9) 5_655 1_554
Li2 Li5 Nd3 63.6(7) 5_655 1_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O2 2.372(12) 6_656
Nd1 O2 2.372(12) 5_656
Nd1 O3 2.459(12) 2_646
Nd1 O3 2.459(12) 1_556
Nd1 N3 2.478(18) 5_656
Nd1 N4 2.664(12) .
Nd1 N4 2.664(12) 2_645
Nd1 Si5 3.095(4) 2_645
Nd1 Si5 3.095(4) .
Nd1 Si3 3.132(4) .
Nd1 Si3 3.132(4) 2_645
Nd1 Li5 3.34(3) 3_646
Nd2 F3F 2.318(9) 5_655
Nd2 O3O 2.318(9) 5_655
Nd2 O1 2.362(9) 5_655
Nd2 O1O 2.494(11) .
Nd2 N1 2.531(8) 4_556
Nd2 N1 2.531(8) 5_656
Nd2 N3 2.775(13) 5_656
Nd2 N6 2.864(9) .
Nd2 N6 2.864(9) 8_755
Nd2 Si3 3.198(3) .
Nd2 Si3 3.198(3) 2_645
Nd3 F2F 2.375(6) 5_656
Nd3 O2O 2.375(6) 5_656
Nd3 F2F 2.375(6) 1_556
Nd3 O2O 2.375(6) 1_556
Nd3 N7 2.628(10) 1_556
Nd3 N7 2.628(10) 5_656
Nd3 N1 2.657(8) 5_656
Nd3 N1 2.657(8) 1_556
Nd3 N4 2.734(9) 5_657
Nd3 N4 2.734(9) .
Nd3 Li5 3.13(3) 1_556
Nd3 Li5 3.13(3) 5_656
Si1 O3 1.686(12) 2_655
Si1 O3 1.686(12) .
Si1 N5 1.770(12) .
Si1 N5 1.770(12) 2_655
Si1 Li5 3.01(3) 5_655
Si1 Li5 3.01(3) 4
Si1 Li5 3.01(3) 3_655
Si1 Li5 3.01(3) 6_665
Si1 Li2 3.11(3) .
Si1 Li2 3.11(3) 2_655
Si2 O1 1.694(7) 5_655
Si2 N6 1.711(10) .
Si2 N6 1.711(10) 7_565
Si2 N5 1.724(12) .
Si2 Li4 2.52(3) 5_655
Si2 Li4 2.52(3) 3_655
Si2 Li1 2.54(3) 1_556
Si2 Nd2 3.215(3) 2_655
Si3 N4 1.709(14) .
Si3 N1 1.734(9) 3_646
Si3 N1 1.734(9) 5_656
Si3 N3 1.743(4) 5_656
Si3 Li5 2.90(3) 5_656
Si3 Li5 2.90(3) 3_646
Si3 Nd2 3.198(3) 2_645
Si3 Nd3 3.290(3) 3_647
Si4 N6 1.718(9) .
Si4 N7 1.720(9) 1_556
Si4 N2 1.722(6) .
Si4 N1 1.751(8) 5_656
Si4 Li3 2.64(3) 5_655
Si4 Li2 2.81(3) 5_656
Si4 Li1 2.89(2) 1_556
Si4 Li4 3.06(2) 1_556
Si4 Li1 3.10(3) 5_655
Si5 O2 1.690(11) 5_656
Si5 N7 1.712(10) 3_646
Si5 N7 1.712(10) 5_656
Si5 N4 1.729(14) .
Si5 Li4 2.55(3) 5_656
Si5 Li4 2.55(3) 3_646
Si5 Li1 2.74(3) 5_656
Si5 Nd3 3.252(3) 3_647
N1 Si3 1.734(9) 5_656
N1 Si4 1.751(8) 5_656
N1 Li5 2.39(3) .
N1 Nd2 2.531(8) 5_656
N1 Nd3 2.657(8) 1_554
N2 Si4 1.722(6) 7
N2 Li1 1.94(3) 5_655
N2 Li3 2.09(4) 5_655
N2 Li2 2.24(4) 5_656
N3 Si3 1.743(4) 5_656
N3 Si3 1.743(4) 6_566
N3 Nd1 2.478(18) 5_656
N3 Nd2 2.775(13) 6_566
N3 Nd2 2.775(13) 5_656
N4 Nd3 2.734(9) 3_647
N5 Li2 1.98(4) .
N5 Li4 2.05(3) 5_655
N5 Li4 2.05(3) 3_655
N6 Li4 2.06(3) 5_655
N6 Li1 2.27(2) 1_556
N6 Li3 2.485(14) 5_655
N7 Si5 1.712(10) 5_656
N7 Si4 1.720(9) 1_554
N7 Li4 2.03(3) .
N7 Li2 2.494(16) 5_655
N7 Li1 2.61(3) .
N7 Nd3 2.628(10) 1_554
O1 Si2 1.694(7) 5_655
O1 Si2 1.694(7) 6
O1 Nd2 2.362(9) 6
O1 Nd2 2.362(9) 5_655
O2 Si5 1.690(11) 5_656
O2 Li3 2.07(4) .
O2 Li4 2.11(3) 7_565
O2 Li4 2.11(3) .
O2 Nd1 2.372(12) 5_656
O3 Li5 1.95(3) 4
O3 Li5 1.95(3) 5_655
O3 Nd1 2.459(12) 1_554
O1O Li5 2.14(3) 4_556
O1O Li5 2.14(3) 6_666
O1O Li5 2.14(3) 3_656
O1O Li5 2.14(3) 5_656
O1O Nd2 2.494(11) 2_655
O2O Li2 2.02(4) .
O2O Li5 2.02(3) 3_655
O2O Li5 2.02(3) 5_655
O2O Nd3 2.375(6) 1_554
O2O Nd3 2.375(6) 3_656
O3O Li3 1.89(4) .
O3O Li3 1.89(4) 2
O3O Nd2 2.318(9) 5_655
O3O Nd2 2.318(9) 6_565
Li1 N2 1.94(3) 5_655
Li1 N6 2.27(2) 7_564
Li1 N6 2.27(2) 1_554
Li1 Si2 2.54(3) 1_554
Li1 N7 2.61(3) 7_565
Li1 Si5 2.74(3) 5_656
Li1 Li3 2.79(4) .
Li1 Si4 2.89(2) 7_564
Li1 Si4 2.89(2) 1_554
Li1 Li4 2.98(4) .
Li1 Li4 2.98(4) 7_565
Li2 N2 2.24(4) 5_656
Li2 Li4 2.44(4) 3_655
Li2 Li4 2.44(4) 5_655
Li2 N7 2.494(16) 5_655
Li2 N7 2.494(16) 3_655
Li2 Si4 2.81(3) 5_656
Li2 Si4 2.81(3) 3_656
Li2 Li5 3.09(4) 5_655
Li2 Li5 3.09(4) 3_655
Li3 N2 2.09(4) 5_655
Li3 N6 2.485(14) 3_655
Li3 N6 2.485(14) 5_655
Li3 Li4 2.63(4) 7_565
Li3 Li4 2.63(4) .
Li3 Si4 2.64(3) 5_655
Li3 Si4 2.64(3) 3_655
Li3 Nd2 3.25(3) 5_655
Li4 N5 2.05(3) 5_655
Li4 N6 2.06(3) 5_655
Li4 Li2 2.44(4) 5_655
Li4 Si2 2.52(3) 5_655
Li4 Si5 2.55(3) 5_656
Li4 Li1 3.01(4) 5_654
Li4 Si4 3.06(2) 1_554
Li5 O3 1.95(3) 5_655
Li5 F2F 2.02(3) 5_655
Li5 O2O 2.02(3) 5_655
Li5 F1F 2.14(3) 5_656
Li5 O1O 2.14(3) 5_656
Li5 Li5 2.28(7) 7
Li5 Li5 2.51(5) 8_655
Li5 Si3 2.90(3) 5_656
Li5 Si1 3.01(3) 5_655
Li5 Li2 3.09(4) 5_655
Li5 Nd3 3.13(3) 1_554
