#------------------------------------------------------------------------------
#$Date: 2019-11-17 06:28:39 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228417 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/14/7121457.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_7121457
loop_
_publ_author_name
'Wu, Yue'
'Binford, Trevor'
'Hill, Joshua A.'
'Shaker, Sammy'
'Wang, John'
'Cheetham, Anthony K.'
_publ_section_title
;
 Hypophosphite hybrid perovskites: a platform for unconventional tilts and
 shifts.
;
_journal_issue                   30
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3751
_journal_page_last               3754
_journal_paper_doi               10.1039/c8cc00907d
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'H18 Mn3 O18 P9, 3(C2 H8 N)'
_chemical_formula_sum            'C6 H42 Mn3 N3 O18 P9'
_chemical_formula_weight         887.97
_chemical_name_systematic        'Dimethylammonium manganese hypophosphite'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2018-01-11
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2018-01-29 deposited with the CCDC.
2018-03-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.188(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.6139(3)
_cell_length_b                   13.3050(3)
_cell_length_c                   19.3418(6)
_cell_measurement_reflns_used    4406
_cell_measurement_temperature    298.9(6)
_cell_measurement_theta_max      28.0310
_cell_measurement_theta_min      1.8910
_cell_volume                     3551.85(17)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      298.9(6)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1183
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -80.00   10.00   1.0000   14.0850
omega____ theta____ kappa____ phi______ frames
    -      -27.1232  -57.0000 -150.0000 90

#__ type_ start__ end____ width___ exp.time_
  2 omega  -64.00   35.00   1.0000   14.0850
omega____ theta____ kappa____ phi______ frames
    -      -27.1232   57.0000   30.0000 99

#__ type_ start__ end____ width___ exp.time_
  3 omega  -64.00   23.00   1.0000   14.0850
omega____ theta____ kappa____ phi______ frames
    -      -27.1232   57.0000  150.0000 87
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0018050000
_diffrn_orient_matrix_UB_12      0.0126944000
_diffrn_orient_matrix_UB_13      0.0360475000
_diffrn_orient_matrix_UB_21      -0.0459174000
_diffrn_orient_matrix_UB_22      -0.0229033000
_diffrn_orient_matrix_UB_23      -0.0063820000
_diffrn_orient_matrix_UB_31      0.0230766000
_diffrn_orient_matrix_UB_32      -0.0463982000
_diffrn_orient_matrix_UB_33      0.0129686000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0365
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.878
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14768
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.878
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.363
_diffrn_reflns_theta_min         1.475
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.519
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96373
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light pink'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1812
_exptl_crystal_size_max          0.529
_exptl_crystal_size_mid          0.468
_exptl_crystal_size_min          0.352
_refine_diff_density_max         0.788
_refine_diff_density_min         -0.695
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         7802
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0447
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0455P)²+3.4521P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1056
_refine_ls_wR_factor_ref         0.1188
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5873
_reflns_number_total             7802
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8cc00907d2.cif
_cod_data_source_block           yw-mn_tmaoh_hp_dmf_4
_cod_depositor_comments          'Adding full bibliography for 7121457.cif.'
_cod_original_cell_volume        3551.84(17)
_cod_database_code               7121457
_shelx_shelxl_version_number     2016/6
_chemical_oxdiff_formula         'Mn P2 C2 O6 N3'
_chemical_oxdiff_usercomment
'Roughly cubic large crystal of Mn-TMAOH-HP_DMF stood for several months (likely Mn-DMA-HP)'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.617
_shelx_estimated_absorpt_t_min   0.500
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All N(H,H) groups, All P(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 P1(H1A,H1B), P2(H2A,H2B), P3(H3A,H3B), P4(H4A,H4B), P5(H5A,H5B), P6(H6A,H6B),
 P7(H7A,H7B), P8(H8A,H8B), P9(H9A,H9B), N(HA,HB), N0AA(H0AA,H0AB), N1(H1C,H1D)
2.b Idealised Me refined as rotating group:
 C1AA(H1AA,H1AB,H1AC), C(HC,HD,HE), C2AA(H2AA,H2AB,H2AC), C3AA(H3AA,H3AB,H3AC),
  C0AA(H0AC,H0AD,H0AE), C15(H15A,H15B,H15C)
;
_olex2_exptl_crystal_mounting_method 'Mounted with paratone oil on cryoloop'
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Mn1 Mn 0.00183(3) 0.25443(3) 0.74828(2) 0.02135(11) Uani 1 1 d .
Mn2 Mn 0.33764(3) 0.24330(3) 0.58154(2) 0.02369(12) Uani 1 1 d .
Mn3 Mn 0.33089(3) 0.74443(3) 0.58755(2) 0.02408(12) Uani 1 1 d .
P1 P -0.03548(6) 0.50479(5) 0.73281(5) 0.03121(19) Uani 1 1 d .
H1A H -0.034629 0.505573 0.805402 0.037 Uiso 1 1 calc R
H1B H -0.132487 0.505407 0.687573 0.037 Uiso 1 1 calc R
P2 P 0.15005(6) 0.20235(7) 0.64643(5) 0.0346(2) Uani 1 1 d .
H2A H 0.117212 0.110042 0.612615 0.041 Uiso 1 1 calc R
H2B H 0.099896 0.278048 0.598664 0.041 Uiso 1 1 calc R
P3 P 0.16250(7) 0.82713(7) 0.66400(5) 0.0400(2) Uani 1 1 d .
H3A H 0.229818 0.902517 0.696283 0.048 Uiso 1 1 calc R
H3B H 0.085553 0.872945 0.609802 0.048 Uiso 1 1 calc R
P4 P 0.14283(7) 0.26890(7) 0.42814(5) 0.0393(2) Uani 1 1 d .
H4A H 0.069649 0.308179 0.452184 0.047 Uiso 1 1 calc R
H4B H 0.195246 0.350246 0.414543 0.047 Uiso 1 1 calc R
P5 P 0.40697(8) -0.00450(6) 0.62251(6) 0.0496(3) Uani 1 1 d .
H5A H 0.409339 0.015424 0.694149 0.060 Uiso 1 1 calc R
H5B H 0.502204 -0.024007 0.625153 0.060 Uiso 1 1 calc R
P6 P 0.55639(7) 0.25262(8) 0.72652(5) 0.0446(2) Uani 1 1 d .
H6A H 0.607448 0.342377 0.729243 0.053 Uiso 1 1 calc R
H6B H 0.598222 0.180145 0.693745 0.053 Uiso 1 1 calc R
P7 P 0.16541(7) 0.71552(7) 0.41916(5) 0.0487(3) Uani 1 1 d .
H7A H 0.213467 0.653968 0.383446 0.058 Uiso 1 1 calc R
H7B H 0.118340 0.652340 0.454615 0.058 Uiso 1 1 calc R
P8 P 0.34259(8) 0.49394(6) 0.56163(7) 0.0493(3) Uani 1 1 d .
H8A H 0.438053 0.492832 0.609787 0.059 Uiso 1 1 calc R
H8B H 0.346756 0.497690 0.490390 0.059 Uiso 1 1 calc R
P9 P 0.52600(7) 0.26289(9) 0.51574(5) 0.0513(3) Uani 1 1 d .
H9A H 0.554980 0.165051 0.539731 0.062 Uiso 1 1 calc R
H9B H 0.585120 0.328951 0.567759 0.062 Uiso 1 1 calc R
O0AA O 0.2956(2) 0.39853(17) 0.57027(16) 0.0541(7) Uani 1 1 d .
O2AA O 0.00980(19) 0.40983(16) 0.72001(15) 0.0478(7) Uani 1 1 d .
O3AA O 0.4577(2) 0.2682(3) 0.67993(18) 0.0917(12) Uani 1 1 d .
O4 O 0.25486(17) 0.2119(2) 0.65562(13) 0.0544(7) Uani 1 1 d .
O1AA O 0.29540(19) 0.58675(16) 0.57480(15) 0.0483(6) Uani 1 1 d .
O6 O 0.01160(18) 0.59898(15) 0.71934(14) 0.0414(6) Uani 1 1 d .
O7 O 0.0967(2) 0.2157(2) 0.35840(14) 0.0622(8) Uani 1 1 d .
O8 O 0.2091(2) 0.75555(18) 0.62771(19) 0.0634(9) Uani 1 1 d .
O9 O 0.20936(17) 0.20778(17) 0.48881(13) 0.0439(6) Uani 1 1 d .
O10 O 0.23950(18) 0.77441(17) 0.47590(13) 0.0468(6) Uani 1 1 d .
O11 O 0.09087(19) 0.77343(19) 0.36303(14) 0.0528(7) Uani 1 1 d .
O12 O 0.4297(2) 0.7206(3) 0.69806(15) 0.0780(10) Uani 1 1 d .
O13 O 0.4256(2) 0.2765(2) 0.51452(16) 0.0660(8) Uani 1 1 d .
O14 O 0.12371(17) 0.20847(19) 0.71441(13) 0.0436(6) Uani 1 1 d .
O1 O 0.45540(17) 0.7210(2) 0.55448(14) 0.0545(7) Uani 1 1 d .
O2 O 0.3740(3) 0.0853(2) 0.5792(2) 0.0856(11) Uani 1 1 d .
O3 O 0.3502(3) -0.0947(2) 0.59752(19) 0.0836(11) Uani 1 1 d .
N N 0.2063(2) -0.0090(2) 0.46249(16) 0.0453(7) Uani 1 1 d .
HA H 0.237009 -0.062745 0.486624 0.054 Uiso 1 1 calc R
HB H 0.233894 0.045127 0.487801 0.054 Uiso 1 1 calc R
O5 O 0.1250(2) 0.7874(2) 0.72000(17) 0.0642(8) Uani 1 1 d .
N0AA N 0.1528(2) 0.5592(2) 0.65416(15) 0.0410(7) Uani 1 1 d .
H0AA H 0.115805 0.589503 0.676390 0.049 Uiso 1 1 calc R
H0AB H 0.186576 0.606472 0.640756 0.049 Uiso 1 1 calc R
N1 N 0.3749(2) 0.2055(2) 0.80556(16) 0.0457(7) Uani 1 1 d .
H1C H 0.355483 0.205826 0.756863 0.055 Uiso 1 1 calc R
H1D H 0.439283 0.209516 0.821704 0.055 Uiso 1 1 calc R
C1AA C 0.2203(3) 0.4920(3) 0.7065(2) 0.0546(10) Uani 1 1 d .
H1AA H 0.256880 0.454674 0.682089 0.082 Uiso 1 1 calc GR
H1AB H 0.184617 0.446221 0.726405 0.082 Uiso 1 1 calc GR
H1AC H 0.263598 0.530893 0.745380 0.082 Uiso 1 1 calc GR
C C 0.0902(3) 0.5089(3) 0.5887(2) 0.0547(10) Uani 1 1 d .
HC H 0.047736 0.557200 0.557225 0.082 Uiso 1 1 calc GR
HD H 0.052503 0.458415 0.602455 0.082 Uiso 1 1 calc GR
HE H 0.129295 0.477821 0.563316 0.082 Uiso 1 1 calc GR
C2AA C 0.1054(3) -0.0130(3) 0.4596(3) 0.0589(11) Uani 1 1 d .
H2AA H 0.075186 -0.072023 0.433386 0.088 Uiso 1 1 calc GR
H2AB H 0.071971 0.045696 0.435144 0.088 Uiso 1 1 calc GR
H2AC H 0.102640 -0.015386 0.508524 0.088 Uiso 1 1 calc GR
C3AA C 0.2195(3) -0.0058(3) 0.3910(2) 0.0582(11) Uani 1 1 d .
H3AA H 0.192530 -0.065317 0.363903 0.087 Uiso 1 1 calc GR
H3AB H 0.287447 -0.002211 0.397341 0.087 Uiso 1 1 calc GR
H3AC H 0.187386 0.052353 0.364596 0.087 Uiso 1 1 calc GR
C0AA C 0.3352(3) 0.2945(3) 0.8307(2) 0.0600(11) Uani 1 1 d .
H0AC H 0.265967 0.294985 0.808780 0.090 Uiso 1 1 calc GR
H0AD H 0.361622 0.354143 0.816592 0.090 Uiso 1 1 calc GR
H0AE H 0.352105 0.292516 0.882975 0.090 Uiso 1 1 calc GR
C15 C 0.3462(3) 0.1110(3) 0.8300(2) 0.0669(12) Uani 1 1 d .
H15A H 0.276828 0.106039 0.812907 0.100 Uiso 1 1 calc GR
H15B H 0.369816 0.108478 0.882512 0.100 Uiso 1 1 calc GR
H15C H 0.373031 0.056178 0.810717 0.100 Uiso 1 1 calc GR
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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'
P P 0.1023 0.0942 '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
O2AA Mn1 O6 176.71(8) . 2_546
O2AA Mn1 O7 90.17(11) . 4_566
O2AA Mn1 O11 88.87(10) . 3_566
O2AA Mn1 O14 94.33(9) . .
O2AA Mn1 O5 90.02(10) . 2_546
O7 Mn1 O6 88.88(10) 4_566 2_546
O7 Mn1 O11 178.63(11) 4_566 3_566
O7 Mn1 O14 91.44(11) 4_566 .
O7 Mn1 O5 90.85(13) 4_566 2_546
O11 Mn1 O6 92.13(10) 3_566 2_546
O11 Mn1 O14 87.65(10) 3_566 .
O11 Mn1 O5 90.13(12) 3_566 2_546
O14 Mn1 O6 88.84(9) . 2_546
O14 Mn1 O5 175.08(10) . 2_546
O5 Mn1 O6 86.85(10) 2_546 2_546
O0AA Mn2 O3AA 93.71(14) . .
O0AA Mn2 O4 92.79(11) . .
O0AA Mn2 O9 89.14(10) . .
O0AA Mn2 O13 87.07(11) . .
O0AA Mn2 O2 173.34(12) . .
O3AA Mn2 O4 85.20(12) . .
O3AA Mn2 O9 173.85(11) . .
O3AA Mn2 O13 91.49(13) . .
O3AA Mn2 O2 91.95(15) . .
O9 Mn2 O4 89.22(10) . .
O13 Mn2 O4 176.68(11) . .
O13 Mn2 O9 94.09(11) . .
O13 Mn2 O2 89.27(13) . .
O2 Mn2 O4 91.19(13) . .
O2 Mn2 O9 85.57(12) . .
O1AA Mn3 O8 84.98(9) . .
O1AA Mn3 O10 91.07(10) . .
O1AA Mn3 O12 91.60(13) . .
O1AA Mn3 O3 173.93(12) . 1_565
O8 Mn3 O10 92.00(12) . .
O8 Mn3 O12 90.91(13) . .
O10 Mn3 O12 176.21(12) . .
O1 Mn3 O1AA 91.15(11) . .
O1 Mn3 O8 174.49(11) . .
O1 Mn3 O10 92.00(10) . .
O1 Mn3 O12 85.26(11) . .
O1 Mn3 O3 94.15(13) . 1_565
O3 Mn3 O8 89.93(12) 1_565 .
O3 Mn3 O10 85.77(11) 1_565 .
O3 Mn3 O12 91.81(14) 1_565 .
O2AA P1 O6 115.41(14) . .
O4 P2 O14 116.39(15) . .
O5 P3 O8 117.53(17) . .
O7 P4 O9 116.15(15) . .
O2 P5 O3 116.4(2) . .
O3AA P6 O12 116.5(2) . 2_646
O11 P7 O10 116.74(15) . .
O1AA P8 O0AA 115.98(16) . .
O13 P9 O1 116.67(17) . 3_666
P8 O0AA Mn2 135.25(16) . .
P1 O2AA Mn1 135.34(14) . .
P6 O3AA Mn2 152.8(3) . .
P2 O4 Mn2 134.73(15) . .
P8 O1AA Mn3 136.48(15) . .
P1 O6 Mn1 130.81(13) . 2_556
P4 O7 Mn1 139.88(17) . 4_565
P3 O8 Mn3 140.90(16) . .
P4 O9 Mn2 133.65(14) . .
P7 O10 Mn3 134.30(15) . .
P7 O11 Mn1 135.29(16) . 3_566
P6 O12 Mn3 139.9(2) 2_656 .
P9 O13 Mn2 139.11(19) . .
P2 O14 Mn1 139.07(15) . .
P9 O1 Mn3 132.92(16) 3_666 .
P5 O2 Mn2 145.4(2) . .
P5 O3 Mn3 153.5(2) . 1_545
C2AA N C3AA 114.4(3) . .
P3 O5 Mn1 147.2(2) . 2_556
C N0AA C1AA 114.1(3) . .
C15 N1 C0AA 113.7(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O2AA 2.151(2) .
Mn1 O6 2.188(2) 2_546
Mn1 O7 2.162(3) 4_566
Mn1 O11 2.166(2) 3_566
Mn1 O14 2.178(2) .
Mn1 O5 2.180(3) 2_546
Mn2 O0AA 2.145(2) .
Mn2 O3AA 2.149(3) .
Mn2 O4 2.198(2) .
Mn2 O9 2.178(2) .
Mn2 O13 2.150(3) .
Mn2 O2 2.173(3) .
Mn3 O1AA 2.156(2) .
Mn3 O8 2.168(3) .
Mn3 O10 2.170(2) .
Mn3 O12 2.174(3) .
Mn3 O1 2.141(2) .
Mn3 O3 2.159(3) 1_565
P1 O2AA 1.484(2) .
P1 O6 1.493(2) .
P2 O4 1.488(2) .
P2 O14 1.489(2) .
P3 O8 1.476(2) .
P3 O5 1.464(3) .
P4 O7 1.476(3) .
P4 O9 1.495(2) .
P5 O2 1.448(3) .
P5 O3 1.449(3) .
P6 O3AA 1.442(3) .
P6 O12 1.468(3) 2_646
P7 O10 1.486(2) .
P7 O11 1.477(3) .
P8 O0AA 1.478(3) .
P8 O1AA 1.477(2) .
P9 O13 1.471(3) .
P9 O1 1.486(3) 3_666
N C2AA 1.458(5) .
N C3AA 1.459(5) .
N0AA C1AA 1.463(5) .
N0AA C 1.458(5) .
N1 C0AA 1.469(5) .
N1 C15 1.452(5) .
