#------------------------------------------------------------------------------ #$Date: 2019-07-08 19:20:33 +0300 (Mon, 08 Jul 2019) $ #$Revision: 216842 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/84/2108439.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2108439 loop_ _publ_author_name 'Mugnaioli, Enrico' 'Gemmi, Mauro' 'Merlini, Marco' 'Gregorkiewitz, Miguel' _publ_contact_author_address ; Dept of Physical, Earth and Environmental Sciences, University of Siena, via Laterina 8, I-53100 Siena, Italy ; _publ_contact_author_email gregormigu@gmail.com _publ_contact_author_name 'M Gregorkiewitz' _publ_contact_author_phone +390577233810 _publ_section_title ; (Na,\W)5[MnO2]13 does not have the roman\`echite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction. ; _publ_section_title_footnote ' \W stands for 'vacancy'' _journal_coden_ASTM ASBSDK _journal_coden_Cambridge 1743 _journal_coeditor_code DK5050 _journal_coeditor_notes ' ?' _journal_date_accepted 2016-10-04 _journal_date_from_coeditor 2016-10-04 _journal_date_printers_first 2016-10-13 _journal_date_proofs_in 2016-11-03 _journal_date_proofs_out 2016-10-13 _journal_date_recd_electronic 2016-07-14 _journal_issue 06 _journal_name_full 'Acta Crystallographica, Section B' _journal_page_first 893 _journal_page_last 903 _journal_paper_category FA _journal_paper_doi 10.1107/S2052520616015651 _journal_techeditor_code B161565 _journal_techeditor_notes ' ?' _journal_volume 72 _journal_year 2016 _chemical_formula_moiety Na.31MnO2 _chemical_formula_structural '(Nax\W1-x)5[MnO2]13, x=0.80' _chemical_formula_sum 'Mn13 Na3.98 O26' _chemical_formula_weight 1221.78 _chemical_name_systematic ' sodium manganese oxide' _space_group_IT_number 12 _space_group_name_Hall '-C 2y' _space_group_name_H-M_alt 'C 1 2/m 1' _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _audit_author_name mg _audit_creation_date 2015-04-18T11:27 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2015-04-18T11:27 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 105.0925(16) _cell_angle_gamma 90.0 _cell_formula_units_Z 2 _cell_length_a 22.5199(6) _cell_length_b 2.83987(6) _cell_length_c 14.8815(4) _cell_measurement_temperature 293 _cell_volume 918.90(4) _computing_data_reduction Fit2D _computing_molecular_graphics 'VESTA, GIMP, Inkscape' _computing_publication_material GSAS _computing_structure_refinement GSAS _computing_structure_solution 'SIR2011&Superflip using EDT intensity data' _diffrn_ambient_temperature 293 _diffrn_detector 'imaging plate' _diffrn_detector_type MAR555 _diffrn_measurement_device_type ID09 _diffrn_radiation_polarisn_ratio 0.96 _diffrn_radiation_probe x-ray _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.415352 _exptl_absorpt_coefficient_mu 1.85 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _exptl_crystal_density_diffrn 4.416 _exptl_crystal_F_000 1153.56 _pd_calc_method 'Rietveld Refinement' _pd_char_colour 'dark brown' _pd_char_particle_morphology needles _pd_instr_dist_spec/detc 300 _pd_instr_location ' ESRF beamline ID09' _pd_meas_2theta_range_inc 0.012 _pd_meas_2theta_range_max 37.7767 _pd_meas_2theta_range_min 0.9487 _pd_meas_number_of_points 3070 _pd_phase_mass_% 57.92(16) _pd_phase_name 'psiro ROMAN7_.25 cycle 1144 DLSF=0' _pd_prep_pressure 100 _pd_prep_temperature 293 _pd_proc_2theta_range_inc 0.012 _pd_proc_2theta_range_max 32.245 _pd_proc_2theta_range_min 1.309 _pd_proc_info_datetime 2015-04-18T11:27:56 _pd_proc_info_excluded_regions ' contains spikes, high density of reflections' _pd_proc_ls_background_function ; GSAS Background function number 1 with 36 terms. Shifted Chebyshev function of 1st kind 1: 121.048 2: -59.0276 3: 74.1260 4: -51.7887 5: 40.7256 6: -41.3683 7: 50.7057 8: -43.4266 9: 30.0730 10: -27.9592 11: 18.9871 12: -9.28117 13: 7.01053 14: -9.72424 15: 11.8353 16: -1.11195 17: -6.43133 18: 2.04352 19: 3.16252 20: -2.47459 21: -3.37630 22: 6.62565 23: -7.61994 24: 6.85735 25: -2.85962 26: -1.95684 27: 2.20435 28: 5.51369 29: -4.47940 30: -2.78334 31: 2.74341 32: -0.150605 33: 4.57349 34: -3.87086 35: 0.477537 36: 1.94298 ; _pd_proc_ls_profile_function ; CW Profile function number 3 with 19 terms Pseudovoigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. #1(GU) = 0.000 #2(GV) = 0.000 #3(GW) = 1.995 #4(GP) = 0.000 #5(LX) = 1.206 #6(LY) = 11.017 #7(S/L) = 0.0005 #8(H/L) = 0.0005 #9(trns) = 0.00 #10(shft)= 0.0000 #11(stec)= 0.00 #12(ptec)= 0.00 #13(sfec)= 0.00 #14(L11) = 0.000 #15(L22) = 0.000 #16(L33) = 0.000 #17(L12) = 0.000 #18(L13) = 0.000 #19(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0010 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0365 _pd_proc_ls_prof_wR_expected 0.0634 _pd_proc_ls_prof_wR_factor 0.0514 _pd_proc_number_of_points 2579 _pd_spec_mounting ' Lindemann glass capillary' _pd_spec_mount_mode transmission _pd_spec_shape cylinder _pd_spec_size_axial 5 _pd_spec_size_equat 0.2 _refine_ls_goodness_of_fit_all 0.83 _refine_ls_matrix_type full _refine_ls_number_parameters 123 _refine_ls_number_restraints 0 _refine_ls_R_Fsqd_factor 0.03500 _refine_ls_shift/su_max 0.04 _refine_ls_shift/su_mean 0.00 _reflns_d_resolution_high 0.748 _reflns_d_resolution_low 14.368 _reflns_limit_h_max 30 _reflns_limit_h_min 0 _reflns_limit_k_max 8 _reflns_limit_k_min -9 _reflns_limit_l_max 19 _reflns_limit_l_min -19 _reflns_number_total 1374 _cod_data_source_file dk5050sup12.cif _cod_data_source_block ROMAN7_.25_publ _cod_depositor_comments ; The following automatic conversions were performed: data item '_geom_angle_publ_flag' value 'N' was changed to 'n' in accordance with the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (399 times). data item '_geom_bond_publ_flag' value 'N' was changed to 'n' in accordance with the built-in table derived from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated on 2014-11-21 (201 times). Automatic conversion script Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas ; _cod_original_cell_volume 918.90(5) _cod_database_code 2108439 _gsas_exptl_extinct_corr_t_min 1.00000 _gsas_exptl_extinct_corr_t_max 1.00000 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 0.5 0.0 0.0 1.0 Uiso 0.0093(19) 2 Mn Mn2 0.39312(20) 0.5 0.02578(30) 1.0 Uiso 0.0059(14) 4 Mn Mn3 0.34391(21) 0.0 0.20420(33) 1.0 Uiso 0.0030(13) 4 Mn Mn4 0.43111(20) 0.5 0.36320(30) 1.0 Uiso 0.0057(12) 4 Mn Mn5 0.57950(20) 0.0 0.43082(32) 1.0 Uiso 0.0080(13) 4 Mn Mn6 0.65959(20) 0.5 0.33803(30) 1.0 Uiso 0.0101(14) 4 Mn Mn7 0.70783(21) 0.0 0.17729(31) 1.0 Uiso 0.0063(12) 4 O O1 0.4544(7) 0.0 0.0910(12) 1.0 Uiso 0.0082(13) 4 O O2 0.5533(7) 0.5 0.0573(11) 1.0 Uiso 0.0082(13) 4 O O3 0.6565(7) 0.0 0.0319(11) 1.0 Uiso 0.0082(13) 4 O O4 0.3536(8) 0.5 0.1220(13) 1.0 Uiso 0.0082(13) 4 O O5 0.2557(7) 0.0 0.1473(11) 1.0 Uiso 0.0082(13) 4 O O6 0.3355(7) 0.5 0.2885(11) 1.0 Uiso 0.0082(13) 4 O O7 0.4239(7) 0.0 0.2624(12) 1.0 Uiso 0.0082(13) 4 O O8 0.5247(7) 0.5 0.3932(11) 1.0 Uiso 0.0082(13) 4 O O9 0.4233(7) 0.0 0.4429(11) 1.0 Uiso 0.0082(13) 4 O O10 0.6418(7) 0.5 0.4539(11) 1.0 Uiso 0.0082(13) 4 O O11 0.5999(7) 0.0 0.3117(12) 1.0 Uiso 0.0082(13) 4 O O12 0.6647(7) 0.5 0.2160(11) 1.0 Uiso 0.0082(13) 4 O O13 0.7146(8) 0.0 0.3735(11) 1.0 Uiso 0.0082(13) 4 Na Na1 0.3017(8) 0.0 0.4119(13) 0.808(19) Uiso 0.068(7) 4 Na Na2 0.5095(8) 0.5 0.2226(12) 0.816(20) Uiso 0.068(7) 4 Na Na3 0.25 0.25 0.0 0.368(12) Uiso 0.068(7) 4 loop_ _atom_type_symbol _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 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 O 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 Na 0.000 0.000 4.76260 3.28500 3.17360 8.84220 1.26740 0.31360 1.11280 129.424 0.67600 International_Tables_Vol_C 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 Mn1 O1 180.0 1_555 . 2_655 n O1 Mn1 O2 94.3(6) 1_555 . 1_545 n O1 Mn1 O2 94.3(6) 1_555 . 1_555 n O1 Mn1 O2 85.7(6) 1_555 . 2_645 n O1 Mn1 O2 85.7(6) 1_555 . 2_655 n O1 Mn1 O2 85.7(6) 2_655 . 1_545 n O1 Mn1 O2 85.7(6) 2_655 . 1_555 n O1 Mn1 O2 94.3(6) 2_655 . 2_645 n O1 Mn1 O2 94.3(6) 2_655 . 2_655 n O2 Mn1 O2 96.0(6) 1_545 . 1_555 n O2 Mn1 O2 84.0(6) 1_545 . 2_645 n O2 Mn1 O2 180.0 1_545 . 2_655 n O2 Mn1 O2 180.0 1_555 . 2_645 n O2 Mn1 O2 84.0(6) 1_555 . 2_655 n O2 Mn1 O2 96.0(6) 2_645 . 2_655 n O1 Mn2 O1 88.2(6) 1_555 . 1_565 n O1 Mn2 O2 81.2(6) 1_555 . 2_655 n O1 Mn2 O3 86.5(5) 1_555 . 2_655 n O1 Mn2 O3 174.3(5) 1_555 . 2_665 n O1 Mn2 O4 91.9(6) 1_555 . 1_555 n O1 Mn2 O2 81.2(6) 1_565 . 2_655 n O1 Mn2 O3 174.3(5) 1_565 . 2_655 n O1 Mn2 O3 86.5(5) 1_565 . 2_665 n O1 Mn2 O4 91.9(6) 1_565 . 1_555 n O2 Mn2 O3 96.0(6) 2_655 . 2_655 n O2 Mn2 O3 96.0(6) 2_655 . 2_665 n O2 Mn2 O4 170.4(7) 2_655 . 1_555 n O3 Mn2 O3 98.7(7) 2_655 . 2_665 n O3 Mn2 O4 90.3(6) 2_655 . 1_555 n O3 Mn2 O4 90.3(6) 2_665 . 1_555 n O4 Mn3 O4 95.2(9) 1_545 . 1_555 n O4 Mn3 O5 89.7(7) 1_545 . 1_555 n O4 Mn3 O6 85.3(5) 1_545 . 1_545 n O4 Mn3 O6 179.0(8) 1_545 . 1_555 n O4 Mn3 O7 92.4(6) 1_545 . 1_555 n O4 Mn3 O5 89.7(7) 1_555 . 1_555 n O4 Mn3 O6 179.0(8) 1_555 . 1_545 n O4 Mn3 O6 85.3(5) 1_555 . 1_555 n O4 Mn3 O7 92.4(6) 1_555 . 1_555 n O5 Mn3 O6 91.2(6) 1_555 . 1_545 n O5 Mn3 O6 91.2(6) 1_555 . 1_555 n O5 Mn3 O7 176.9(9) 1_555 . 1_555 n O6 Mn3 O6 94.3(8) 1_545 . 1_555 n O6 Mn3 O7 86.7(6) 1_545 . 1_555 n O6 Mn3 O7 86.7(6) 1_555 . 1_555 n O6 Mn4 O7 75.1(5) 1_555 . 1_555 n O6 Mn4 O7 75.1(5) 1_555 . 1_565 n O6 Mn4 O8 162.3(8) 1_555 . 1_555 n O6 Mn4 O9 94.6(6) 1_555 . 1_555 n O6 Mn4 O9 94.6(6) 1_555 . 1_565 n O6 Mn4 Na2 108.9(6) 1_555 . 1_555 n O7 Mn4 O7 88.1(7) 1_555 . 1_565 n O7 Mn4 O8 92.4(6) 1_555 . 1_555 n O7 Mn4 O9 86.3(5) 1_555 . 1_555 n O7 Mn4 O9 169.3(7) 1_555 . 1_565 n O7 Mn4 Na2 56.5(5) 1_555 . 1_555 n O7 Mn4 O8 92.4(6) 1_565 . 1_555 n O7 Mn4 O9 169.3(7) 1_565 . 1_555 n O7 Mn4 O9 86.3(5) 1_565 . 1_565 n O7 Mn4 Na2 56.5(5) 1_565 . 1_555 n O8 Mn4 O9 97.0(6) 1_555 . 1_555 n O8 Mn4 O9 97.0(6) 1_555 . 1_565 n O8 Mn4 Na2 53.4(5) 1_555 . 1_555 n O9 Mn4 O9 97.6(8) 1_555 . 1_565 n O9 Mn4 Na2 126.3(5) 1_555 . 1_555 n O9 Mn4 Na2 126.3(5) 1_565 . 1_555 n O8 Mn5 O8 98.9(7) 1_545 . 1_555 n O8 Mn5 O9 96.1(6) 1_545 . 2_656 n O8 Mn5 O10 83.6(5) 1_545 . 1_545 n O8 Mn5 O10 171.3(8) 1_545 . 1_555 n O8 Mn5 O11 91.2(6) 1_545 . 1_555 n O8 Mn5 Na1 127.3(4) 1_545 . 2_656 n O8 Mn5 O9 96.1(6) 1_555 . 2_656 n O8 Mn5 O10 171.3(8) 1_555 . 1_545 n O8 Mn5 O10 83.6(5) 1_555 . 1_555 n O8 Mn5 O11 91.2(6) 1_555 . 1_555 n O8 Mn5 Na1 127.3(4) 1_555 . 2_656 n O9 Mn5 O10 91.9(6) 2_656 . 1_545 n O9 Mn5 O10 91.9(6) 2_656 . 1_555 n O9 Mn5 O11 168.7(8) 2_656 . 1_555 n O9 Mn5 Na1 59.4(6) 2_656 . 2_656 n O10 Mn5 O10 92.7(7) 1_545 . 1_555 n O10 Mn5 O11 80.3(6) 1_545 . 1_555 n O10 Mn5 Na1 54.8(4) 1_545 . 2_656 n O10 Mn5 O11 80.3(6) 1_555 . 1_555 n O10 Mn5 Na1 54.8(4) 1_555 . 2_656 n O11 Mn5 Na1 109.3(6) 1_555 . 2_656 n O10 Mn6 O11 83.2(6) 1_555 . 1_555 n O10 Mn6 O11 83.2(6) 1_555 . 1_565 n O10 Mn6 O12 171.5(8) 1_555 . 1_555 n O10 Mn6 O13 91.4(6) 1_555 . 1_555 n O10 Mn6 O13 91.4(6) 1_555 . 1_565 n O10 Mn6 Na1 97.0(6) 1_555 . 101_555 n O11 Mn6 O11 95.1(7) 1_555 . 1_565 n O11 Mn6 O12 91.1(6) 1_555 . 1_555 n O11 Mn6 O13 82.7(5) 1_555 . 1_555 n O11 Mn6 O13 174.4(7) 1_555 . 1_565 n O11 Mn6 Na1 132.4(4) 1_555 . 101_555 n O11 Mn6 O12 91.1(6) 1_565 . 1_555 n O11 Mn6 O13 174.4(7) 1_565 . 1_555 n O11 Mn6 O13 82.7(5) 1_565 . 1_565 n O11 Mn6 Na1 132.4(4) 1_565 . 101_555 n O12 Mn6 O13 94.1(6) 1_555 . 1_555 n O12 Mn6 O13 94.1(6) 1_555 . 1_565 n O12 Mn6 Na1 91.5(6) 1_555 . 101_555 n O13 Mn6 O13 98.9(8) 1_555 . 1_565 n O13 Mn6 Na1 49.6(4) 1_555 . 101_555 n O13 Mn6 Na1 49.6(4) 1_565 . 101_555 n O3 Mn7 O5 87.3(6) 1_555 . 101_545 n O3 Mn7 O5 87.3(6) 1_555 . 101_555 n O3 Mn7 O12 97.0(6) 1_555 . 1_545 n O3 Mn7 O12 97.0(6) 1_555 . 1_555 n O3 Mn7 Na3 49.9(4) 1_555 . 2_655 n O3 Mn7 Na3 49.9(4) 1_555 . -1_655 n O5 Mn7 O5 96.4(8) 101_545 . 101_555 n O5 Mn7 O12 83.0(5) 101_545 . 1_545 n O5 Mn7 O12 175.6(8) 101_545 . 1_555 n O5 Mn7 Na3 69.8(4) 101_545 . 2_655 n O5 Mn7 Na3 46.7(4) 101_545 . -1_655 n O5 Mn7 O12 175.6(8) 101_555 . 1_545 n O5 Mn7 O12 83.0(5) 101_555 . 1_555 n O5 Mn7 Na3 46.7(4) 101_555 . 2_655 n O5 Mn7 Na3 69.8(4) 101_555 . -1_655 n O12 Mn7 O12 97.2(7) 1_545 . 1_555 n O12 Mn7 Na3 136.4(5) 1_545 . 2_655 n O12 Mn7 Na3 112.4(4) 1_545 . -1_655 n O12 Mn7 Na3 112.4(4) 1_555 . 2_655 n O12 Mn7 Na3 136.4(5) 1_555 . -1_655 n Na3 Mn7 Na3 26.39(4) 2_655 . -1_655 n Mn1 O1 Mn2 94.9(7) 1_555 . 1_545 n Mn1 O1 Mn2 94.9(7) 1_555 . 1_555 n Mn1 O1 Na2 108.1(7) 1_555 . 1_545 n Mn1 O1 Na2 108.1(7) 1_555 . 1_555 n Mn2 O1 Mn2 88.2(6) 1_545 . 1_555 n Mn2 O1 Na2 96.6(4) 1_545 . 1_545 n Mn2 O1 Na2 155.9(9) 1_545 . 1_555 n Mn2 O1 Na2 155.9(9) 1_555 . 1_545 n Mn2 O1 Na2 96.6(4) 1_555 . 1_555 n Na2 O1 Na2 70.0(5) 1_545 . 1_555 n Mn1 O2 Mn1 96.0(6) 1_555 . 1_565 n Mn1 O2 Mn2 97.9(6) 1_555 . 2_655 n Mn1 O2 Mn2 97.9(6) 1_565 . 2_655 n Mn2 O3 Mn2 98.7(7) 2_645 . 2_655 n Mn2 O3 Mn7 123.8(5) 2_645 . 1_555 n Mn2 O3 Na3 126.0(7) 2_645 . 2_655 n Mn2 O3 Na3 97.8(5) 2_645 . -1_655 n Mn2 O3 Mn7 123.8(5) 2_655 . 1_555 n Mn2 O3 Na3 97.8(5) 2_655 . 2_655 n Mn2 O3 Na3 126.0(7) 2_655 . -1_655 n Mn7 O3 Na3 85.9(5) 1_555 . 2_655 n Mn7 O3 Na3 85.9(5) 1_555 . -1_655 n Na3 O3 Na3 34.64(23) 2_655 . -1_655 n Mn2 O4 Mn3 129.9(5) 1_555 . 1_555 n Mn2 O4 Mn3 129.9(5) 1_555 . 1_565 n Mn2 O4 Na3 89.2(6) 1_555 . 1_555 n Mn2 O4 Na3 89.2(6) 1_555 . -2_565 n Mn3 O4 Mn3 95.2(9) 1_555 . 1_565 n Mn3 O4 Na3 90.7(5) 1_555 . 1_555 n Mn3 O4 Na3 114.1(8) 1_555 . -2_565 n Mn3 O4 Na3 114.1(8) 1_565 . 1_555 n Mn3 O4 Na3 90.7(5) 1_565 . -2_565 n Na3 O4 Na3 31.06(19) 1_555 . -2_565 n Mn3 O5 Mn7 118.3(6) 1_555 . 101_445 n Mn3 O5 Mn7 118.3(6) 1_555 . 101_455 n Mn3 O5 Na3 102.3(7) 1_555 . 1_555 n Mn3 O5 Na3 102.3(7) 1_555 . -2_555 n Mn7 O5 Mn7 96.4(8) 101_445 . 101_455 n Mn7 O5 Na3 124.4(7) 101_445 . 1_555 n Mn7 O5 Na3 95.7(4) 101_445 . -2_555 n Mn7 O5 Na3 95.7(4) 101_455 . 1_555 n Mn7 O5 Na3 124.4(7) 101_455 . -2_555 n Na3 O5 Na3 36.35(25) 1_555 . -2_555 n Mn3 O6 Mn3 94.3(8) 1_555 . 1_565 n Mn3 O6 Mn4 94.7(6) 1_555 . 1_555 n Mn3 O6 Na1 98.85(35) 1_555 . 1_555 n Mn3 O6 Na1 163.5(7) 1_555 . 1_565 n Mn3 O6 Mn4 94.7(6) 1_565 . 1_555 n Mn3 O6 Na1 163.5(7) 1_565 . 1_555 n Mn3 O6 Na1 98.85(35) 1_565 . 1_565 n Mn4 O6 Na1 94.2(7) 1_555 . 1_555 n Mn4 O6 Na1 94.2(7) 1_555 . 1_565 n Na1 O6 Na1 66.6(6) 1_555 . 1_565 n Mn3 O7 Mn4 103.5(7) 1_555 . 1_545 n Mn3 O7 Mn4 103.5(7) 1_555 . 1_555 n Mn3 O7 Na2 127.5(8) 1_555 . 1_545 n Mn3 O7 Na2 127.5(8) 1_555 . 1_555 n Mn4 O7 Mn4 88.1(7) 1_545 . 1_555 n Mn4 O7 Na2 82.2(5) 1_545 . 1_545 n Mn4 O7 Na2 129.0(8) 1_545 . 1_555 n Mn4 O7 Na2 129.0(8) 1_555 . 1_545 n Mn4 O7 Na2 82.2(5) 1_555 . 1_555 n Na2 O7 Na2 66.7(5) 1_545 . 1_555 n Mn4 O8 Mn5 129.1(4) 1_555 . 1_555 n Mn4 O8 Mn5 129.1(4) 1_555 . 1_565 n Mn4 O8 Na2 85.2(7) 1_555 . 1_555 n Mn5 O8 Mn5 98.9(7) 1_555 . 1_565 n Mn5 O8 Na2 102.2(7) 1_555 . 1_555 n Mn5 O8 Na2 102.2(7) 1_565 . 1_555 n Mn4 O9 Mn4 97.6(8) 1_545 . 1_555 n Mn4 O9 Mn5 130.9(4) 1_545 . 2_656 n Mn4 O9 Na1 98.7(6) 1_545 . 1_555 n Mn4 O9 Mn5 130.9(4) 1_555 . 2_656 n Mn4 O9 Na1 98.7(6) 1_555 . 1_555 n Mn5 O9 Na1 82.7(8) 2_656 . 1_555 n Mn5 O10 Mn5 92.7(7) 1_555 . 1_565 n Mn5 O10 Mn6 98.8(6) 1_555 . 1_555 n Mn5 O10 Na1 85.5(5) 1_555 . 2_656 n Mn5 O10 Na1 137.7(10) 1_555 . 2_666 n Mn5 O10 Mn6 98.8(6) 1_565 . 1_555 n Mn5 O10 Na1 137.7(10) 1_565 . 2_656 n Mn5 O10 Na1 85.5(5) 1_565 . 2_666 n Mn6 O10 Na1 123.2(8) 1_555 . 2_656 n Mn6 O10 Na1 123.2(8) 1_555 . 2_666 n Na1 O10 Na1 68.9(5) 2_656 . 2_666 n Mn5 O11 Mn6 97.6(6) 1_555 . 1_545 n Mn5 O11 Mn6 97.6(6) 1_555 . 1_555 n Mn5 O11 Na2 97.3(7) 1_555 . 1_545 n Mn5 O11 Na2 97.3(7) 1_555 . 1_555 n Mn6 O11 Mn6 95.1(7) 1_545 . 1_555 n Mn6 O11 Na2 96.7(4) 1_545 . 1_545 n Mn6 O11 Na2 159.5(8) 1_545 . 1_555 n Mn6 O11 Na2 159.5(8) 1_555 . 1_545 n Mn6 O11 Na2 96.7(4) 1_555 . 1_555 n Na2 O11 Na2 67.6(5) 1_545 . 1_555 n Mn6 O12 Mn7 117.9(6) 1_555 . 1_555 n Mn6 O12 Mn7 117.9(6) 1_555 . 1_565 n Mn7 O12 Mn7 97.2(7) 1_555 . 1_565 n Mn6 O13 Mn6 98.9(8) 1_545 . 1_555 n Mn6 O13 Na1 93.4(4) 1_545 . 101_545 n Mn6 O13 Na1 166.1(7) 1_545 . 101_555 n Mn6 O13 Na1 166.1(7) 1_555 . 101_545 n Mn6 O13 Na1 93.4(4) 1_555 . 101_555 n Na1 O13 Na1 73.7(6) 101_545 . 101_555 n Mn5 Na1 Mn6 152.4(7) 2_656 . 101_445 n Mn5 Na1 O6 100.5(7) 2_656 . 1_545 n Mn5 Na1 O6 100.5(7) 2_656 . 1_555 n Mn5 Na1 O9 37.9(4) 2_656 . 1_555 n Mn5 Na1 O10 39.7(4) 2_656 . 2_646 n Mn5 Na1 O10 39.7(4) 2_656 . 2_656 n Mn5 Na1 O13 133.5(6) 2_656 . 101_445 n Mn5 Na1 O13 133.5(6) 2_656 . 101_455 n Mn5 Na1 Na1 90.0 2_656 . 1_545 n Mn5 Na1 Na1 90.0 2_656 . 1_565 n Mn6 Na1 O6 102.4(7) 101_445 . 1_545 n Mn6 Na1 O6 102.4(7) 101_445 . 1_555 n Mn6 Na1 O9 169.6(9) 101_445 . 1_555 n Mn6 Na1 O10 123.0(7) 101_445 . 2_646 n Mn6 Na1 O10 123.0(7) 101_445 . 2_656 n Mn6 Na1 O13 36.96(31) 101_445 . 101_445 n Mn6 Na1 O13 36.96(31) 101_445 . 101_455 n Mn6 Na1 Na1 90.0 101_445 . 1_545 n Mn6 Na1 Na1 90.0 101_445 . 1_565 n O6 Na1 O6 66.6(6) 1_545 . 1_555 n O6 Na1 O9 69.1(7) 1_545 . 1_555 n O6 Na1 O10 94.1(6) 1_545 . 2_646 n O6 Na1 O10 133.9(10) 1_545 . 2_656 n O6 Na1 O13 83.0(7) 1_545 . 101_445 n O6 Na1 O13 122.4(9) 1_545 . 101_455 n O6 Na1 Na1 56.72(28) 1_545 . 1_545 n O6 Na1 Na1 123.28(28) 1_545 . 1_565 n O6 Na1 O9 69.1(7) 1_555 . 1_555 n O6 Na1 O10 133.9(10) 1_555 . 2_646 n O6 Na1 O10 94.1(6) 1_555 . 2_656 n O6 Na1 O13 122.4(9) 1_555 . 101_445 n O6 Na1 O13 83.0(7) 1_555 . 101_455 n O6 Na1 Na1 123.28(28) 1_555 . 1_545 n O6 Na1 Na1 56.72(28) 1_555 . 1_565 n O9 Na1 O10 64.9(6) 1_555 . 2_646 n O9 Na1 O10 64.9(6) 1_555 . 2_656 n O9 Na1 O13 142.5(4) 1_555 . 101_445 n O9 Na1 O13 142.5(4) 1_555 . 101_455 n O9 Na1 Na1 90.0 1_555 . 1_545 n O9 Na1 Na1 90.0 1_555 . 1_565 n O10 Na1 O10 68.9(5) 2_646 . 2_656 n O10 Na1 O13 94.0(5) 2_646 . 101_445 n O10 Na1 O13 138.4(11) 2_646 . 101_455 n O10 Na1 Na1 55.54(27) 2_646 . 1_545 n O10 Na1 Na1 124.46(27) 2_646 . 1_565 n O10 Na1 O13 138.4(11) 2_656 . 101_445 n O10 Na1 O13 94.0(5) 2_656 . 101_455 n O10 Na1 Na1 124.46(27) 2_656 . 1_545 n O10 Na1 Na1 55.54(27) 2_656 . 1_565 n O13 Na1 O13 73.7(6) 101_445 . 101_455 n O13 Na1 Na1 53.15(31) 101_445 . 1_545 n O13 Na1 Na1 126.85(31) 101_445 . 1_565 n O13 Na1 Na1 126.85(31) 101_455 . 1_545 n O13 Na1 Na1 53.15(31) 101_455 . 1_565 n Na1 Na1 Na1 180.0 1_545 . 1_565 n Mn4 Na2 O1 106.3(7) 1_555 . 1_555 n Mn4 Na2 O1 106.3(7) 1_555 . 1_565 n Mn4 Na2 O7 41.2(4) 1_555 . 1_555 n Mn4 Na2 O7 41.2(4) 1_555 . 1_565 n Mn4 Na2 O8 41.4(5) 1_555 . 1_555 n Mn4 Na2 O11 99.7(7) 1_555 . 1_555 n Mn4 Na2 O11 99.7(7) 1_555 . 1_565 n Mn4 Na2 Na2 90.0 1_555 . 1_545 n Mn4 Na2 Na2 90.0 1_555 . 1_565 n O1 Na2 O1 70.0(5) 1_555 . 1_565 n O1 Na2 O7 67.4(6) 1_555 . 1_555 n O1 Na2 O7 104.3(8) 1_555 . 1_565 n O1 Na2 O8 136.0(6) 1_555 . 1_555 n O1 Na2 O11 105.0(4) 1_555 . 1_555 n O1 Na2 O11 153.9(10) 1_555 . 1_565 n O1 Na2 Na2 54.99(26) 1_555 . 1_545 n O1 Na2 Na2 125.01(26) 1_555 . 1_565 n O1 Na2 O7 104.3(8) 1_565 . 1_555 n O1 Na2 O7 67.4(6) 1_565 . 1_565 n O1 Na2 O8 136.0(6) 1_565 . 1_555 n O1 Na2 O11 153.9(10) 1_565 . 1_555 n O1 Na2 O11 105.0(4) 1_565 . 1_565 n O1 Na2 Na2 125.01(26) 1_565 . 1_545 n O1 Na2 Na2 54.99(26) 1_565 . 1_565 n O7 Na2 O7 66.7(5) 1_555 . 1_565 n O7 Na2 O8 71.2(6) 1_555 . 1_555 n O7 Na2 O11 96.7(6) 1_555 . 1_555 n O7 Na2 O11 136.8(9) 1_555 . 1_565 n O7 Na2 Na2 56.67(27) 1_555 . 1_545 n O7 Na2 Na2 123.33(27) 1_555 . 1_565 n O7 Na2 O8 71.2(6) 1_565 . 1_555 n O7 Na2 O11 136.8(9) 1_565 . 1_555 n O7 Na2 O11 96.7(6) 1_565 . 1_565 n O7 Na2 Na2 123.33(27) 1_565 . 1_545 n O7 Na2 Na2 56.67(27) 1_565 . 1_565 n O8 Na2 O11 65.7(6) 1_555 . 1_555 n O8 Na2 O11 65.7(6) 1_555 . 1_565 n O8 Na2 Na2 90.0 1_555 . 1_545 n O8 Na2 Na2 90.0 1_555 . 1_565 n O11 Na2 O11 67.6(5) 1_555 . 1_565 n O11 Na2 Na2 56.20(27) 1_555 . 1_545 n O11 Na2 Na2 123.80(27) 1_555 . 1_565 n O11 Na2 Na2 123.80(27) 1_565 . 1_545 n O11 Na2 Na2 56.20(27) 1_565 . 1_565 n Na2 Na2 Na2 180.0 1_545 . 1_565 n Mn7 Na3 Mn7 180.0 2_655 . 101_455 n Mn7 Na3 O3 44.2(4) 2_655 . 2_655 n Mn7 Na3 O3 135.8(4) 2_655 . 101_455 n Mn7 Na3 O4 103.5(4) 2_655 . 1_555 n Mn7 Na3 O4 76.5(4) 2_655 . 102_545 n Mn7 Na3 O5 142.47(27) 2_655 . 1_555 n Mn7 Na3 O5 37.53(27) 2_655 . 102_555 n Mn7 Na3 Na3 76.804(18) 2_655 . 1_545 n Mn7 Na3 Na3 103.196(18) 2_655 . 1_565 n Mn7 Na3 Na3 76.804(18) 2_655 . -2_555 n Mn7 Na3 Na3 103.196(18) 2_655 . -2_565 n Mn7 Na3 O3 135.8(4) 101_455 . 2_655 n Mn7 Na3 O3 44.2(4) 101_455 . 101_455 n Mn7 Na3 O4 76.5(4) 101_455 . 1_555 n Mn7 Na3 O4 103.5(4) 101_455 . 102_545 n Mn7 Na3 O5 37.53(27) 101_455 . 1_555 n Mn7 Na3 O5 142.47(27) 101_455 . 102_555 n Mn7 Na3 Na3 103.196(18) 101_455 . 1_545 n Mn7 Na3 Na3 76.804(18) 101_455 . 1_565 n Mn7 Na3 Na3 103.196(18) 101_455 . -2_555 n Mn7 Na3 Na3 76.804(18) 101_455 . -2_565 n O3 Na3 O3 180.0 2_655 . 101_455 n O3 Na3 O4 63.3(5) 2_655 . 1_555 n O3 Na3 O4 116.7(5) 2_655 . 102_545 n O3 Na3 O5 105.5(5) 2_655 . 1_555 n O3 Na3 O5 74.5(5) 2_655 . 102_555 n O3 Na3 Na3 72.68(11) 2_655 . 1_545 n O3 Na3 Na3 107.32(11) 2_655 . 1_565 n O3 Na3 Na3 72.68(11) 2_655 . -2_555 n O3 Na3 Na3 107.32(11) 2_655 . -2_565 n O3 Na3 O4 116.7(5) 101_455 . 1_555 n O3 Na3 O4 63.3(5) 101_455 . 102_545 n O3 Na3 O5 74.5(5) 101_455 . 1_555 n O3 Na3 O5 105.5(5) 101_455 . 102_555 n O3 Na3 Na3 107.32(11) 101_455 . 1_545 n O3 Na3 Na3 72.68(11) 101_455 . 1_565 n O3 Na3 Na3 107.32(11) 101_455 . -2_555 n O3 Na3 Na3 72.68(11) 101_455 . -2_565 n O4 Na3 O4 180.0 1_555 . 102_545 n O4 Na3 O5 66.8(5) 1_555 . 1_555 n O4 Na3 O5 113.2(5) 1_555 . 102_555 n O4 Na3 Na3 105.53(10) 1_555 . 1_545 n O4 Na3 Na3 74.47(10) 1_555 . 1_565 n O4 Na3 Na3 105.53(10) 1_555 . -2_555 n O4 Na3 Na3 74.47(10) 1_555 . -2_565 n O4 Na3 O5 113.2(5) 102_545 . 1_555 n O4 Na3 O5 66.8(5) 102_545 . 102_555 n O4 Na3 Na3 74.47(10) 102_545 . 1_545 n O4 Na3 Na3 105.53(10) 102_545 . 1_565 n O4 Na3 Na3 74.47(10) 102_545 . -2_555 n O4 Na3 Na3 105.53(10) 102_545 . -2_565 n O5 Na3 O5 180.0 1_555 . 102_555 n O5 Na3 Na3 71.83(12) 1_555 . 1_545 n O5 Na3 Na3 108.17(12) 1_555 . 1_565 n O5 Na3 Na3 71.83(12) 1_555 . -2_555 n O5 Na3 Na3 108.17(12) 1_555 . -2_565 n O5 Na3 Na3 108.17(12) 102_555 . 1_545 n O5 Na3 Na3 71.83(12) 102_555 . 1_565 n O5 Na3 Na3 108.17(12) 102_555 . -2_555 n O5 Na3 Na3 71.83(12) 102_555 . -2_565 n Na3 Na3 Na3 180.0 1_545 . 1_565 n Na3 Na3 Na3 0.0 1_545 . -2_555 n Na3 Na3 Na3 180.0 1_545 . -2_565 n Na3 Na3 Na3 180.0 1_565 . -2_555 n Na3 Na3 Na3 0.0 1_565 . -2_565 n Na3 Na3 Na3 180.0 -2_555 . -2_565 n loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Mn1 Mn1 2.83987(6) . 1_545 n Mn1 Mn1 2.83987(6) . 1_565 n Mn1 Mn2 2.905(4) . 1_545 n Mn1 Mn2 2.905(4) . 1_555 n Mn1 Mn2 2.905(4) . 2_645 n Mn1 Mn2 2.905(4) . 2_655 n Mn1 O1 1.901(17) . 1_555 n Mn1 O1 1.901(17) . 2_655 n Mn1 O2 1.911(10) . 1_545 n Mn1 O2 1.911(10) . 1_555 n Mn1 O2 1.911(10) . 2_645 n Mn1 O2 1.911(10) . 2_655 n Mn1 Na2 3.559(16) . 1_545 n Mn1 Na2 3.559(16) . 1_555 n Mn1 Na2 3.559(16) . 2_645 n Mn1 Na2 3.559(16) . 2_655 n Mn2 Mn1 2.905(4) . 1_555 n Mn2 Mn1 2.905(4) . 1_565 n Mn2 Mn2 2.83987(6) . 1_545 n Mn2 Mn2 2.83987(6) . 1_565 n Mn2 O1 2.041(12) . 1_555 n Mn2 O1 2.041(12) . 1_565 n Mn2 O2 1.940(17) . 2_655 n Mn2 O3 1.871(10) . 2_655 n Mn2 O3 1.871(10) . 2_665 n Mn2 O4 1.872(20) . 1_555 n Mn2 Na2 3.384(18) . 1_555 n Mn2 Na3 3.224(4) . 1_555 n Mn2 Na3 3.224(4) . -2_565 n Mn3 Mn3 2.83987(6) . 1_545 n Mn3 Mn3 2.83987(6) . 1_565 n Mn3 O4 1.923(14) . 1_545 n Mn3 O4 1.923(14) . 1_555 n Mn3 O5 1.947(16) . 1_555 n Mn3 O6 1.936(12) . 1_545 n Mn3 O6 1.936(12) . 1_555 n Mn3 O7 1.783(15) . 1_555 n Mn3 Na1 3.462(20) . 1_555 n Mn3 Na3 3.296(4) . 1_555 n Mn3 Na3 3.296(4) . -2_555 n Mn4 Mn4 2.83987(6) . 1_545 n Mn4 Mn4 2.83987(6) . 1_565 n Mn4 O6 2.150(14) . 1_555 n Mn4 O7 2.041(13) . 1_555 n Mn4 O7 2.041(13) . 1_565 n Mn4 O8 2.037(15) . 1_555 n Mn4 O9 1.887(12) . 1_555 n Mn4 O9 1.887(12) . 1_565 n Mn4 Na1 3.483(18) . 1_555 n Mn4 Na1 3.483(18) . 1_565 n Mn4 Na2 3.068(17) . 1_555 n Mn5 Mn5 2.83987(6) . 1_545 n Mn5 Mn5 2.83987(6) . 1_565 n Mn5 Mn6 2.911(6) . 1_545 n Mn5 Mn6 2.911(6) . 1_555 n Mn5 O8 1.869(10) . 1_545 n Mn5 O8 1.869(10) . 1_555 n Mn5 O9 1.897(17) . 2_656 n Mn5 O10 1.962(11) . 1_545 n Mn5 O10 1.962(11) . 1_555 n Mn5 O11 1.944(17) . 1_555 n Mn5 Na1 3.061(18) . 2_656 n Mn5 Na2 3.400(16) . 1_545 n Mn5 Na2 3.400(16) . 1_555 n Mn6 Mn5 2.911(6) . 1_555 n Mn6 Mn5 2.911(6) . 1_565 n Mn6 Mn6 2.83987(6) . 1_545 n Mn6 Mn6 2.83987(6) . 1_565 n Mn6 O10 1.870(16) . 1_555 n Mn6 O11 1.924(11) . 1_555 n Mn6 O11 1.924(11) . 1_565 n Mn6 O12 1.849(16) . 1_555 n Mn6 O13 1.868(11) . 1_555 n Mn6 O13 1.868(11) . 1_565 n Mn6 Na1 3.102(19) . 101_555 n Mn6 Na2 3.370(18) . 1_555 n Mn7 Mn7 2.83987(6) . 1_545 n Mn7 Mn7 2.83987(6) . 1_565 n Mn7 O3 2.172(16) . 1_555 n Mn7 O5 1.904(11) . 101_545 n Mn7 O5 1.904(11) . 101_555 n Mn7 O12 1.893(11) . 1_545 n Mn7 O12 1.893(11) . 1_555 n Mn7 Na3 3.110(4) . 2_655 n Mn7 Na3 3.110(4) . -1_655 n O1 Mn1 1.901(17) . 1_555 n O1 Mn2 2.041(12) . 1_545 n O1 Mn2 2.041(12) . 1_555 n O1 Na2 2.475(16) . 1_545 n O1 Na2 2.475(16) . 1_555 n O2 Mn1 1.911(10) . 1_555 n O2 Mn1 1.911(10) . 1_565 n O2 Mn2 1.940(17) . 2_655 n O2 Na2 2.879(25) . 1_555 n O3 Mn2 1.871(10) . 2_645 n O3 Mn2 1.871(10) . 2_655 n O3 Mn7 2.172(16) . 1_555 n O3 Na3 3.118(11) . 2_645 n O3 Na3 2.385(15) . 2_655 n O3 Na3 2.385(15) . -1_655 n O3 Na3 3.118(11) . -1_665 n O4 Mn2 1.872(20) . 1_555 n O4 Mn3 1.923(14) . 1_555 n O4 Mn3 1.923(14) . 1_565 n O4 Na3 2.652(16) . 1_555 n O4 Na3 2.652(16) . -2_565 n O5 Mn3 1.947(16) . 1_555 n O5 Mn7 1.904(11) . 101_445 n O5 Mn7 1.904(11) . 101_455 n O5 Na3 3.036(11) . 1_545 n O5 Na3 2.276(15) . 1_555 n O5 Na3 2.276(15) . -2_555 n O5 Na3 3.036(11) . -2_565 n O6 Mn3 1.936(12) . 1_555 n O6 Mn3 1.936(12) . 1_565 n O6 Mn4 2.150(14) . 1_555 n O6 Na1 2.587(19) . 1_555 n O6 Na1 2.587(19) . 1_565 n O7 Mn3 1.783(15) . 1_555 n O7 Mn4 2.041(13) . 1_545 n O7 Mn4 2.041(13) . 1_555 n O7 Na2 2.584(18) . 1_545 n O7 Na2 2.584(18) . 1_555 n O8 Mn4 2.037(15) . 1_555 n O8 Mn5 1.869(10) . 1_555 n O8 Mn5 1.869(10) . 1_565 n O8 Na2 2.472(22) . 1_555 n O9 Mn4 1.887(12) . 1_545 n O9 Mn4 1.887(12) . 1_555 n O9 Mn5 1.897(17) . 2_656 n O9 Na1 2.656(24) . 1_555 n O10 Mn5 1.962(11) . 1_555 n O10 Mn5 1.962(11) . 1_565 n O10 Mn6 1.870(16) . 1_555 n O10 Na1 2.510(18) . 2_656 n O10 Na1 2.510(18) . 2_666 n O11 Mn5 1.944(17) . 1_555 n O11 Mn6 1.924(11) . 1_545 n O11 Mn6 1.924(11) . 1_555 n O11 Na2 2.553(18) . 1_545 n O11 Na2 2.553(18) . 1_555 n O12 Mn6 1.849(16) . 1_555 n O12 Mn7 1.893(11) . 1_555 n O12 Mn7 1.893(11) . 1_565 n O13 Mn6 1.868(11) . 1_545 n O13 Mn6 1.868(11) . 1_555 n O13 Na1 2.368(17) . 101_545 n O13 Na1 2.368(17) . 101_555 n Na1 Mn3 3.462(20) . 1_555 n Na1 Mn4 3.483(18) . 1_545 n Na1 Mn4 3.483(18) . 1_555 n Na1 Mn5 3.061(18) . 2_656 n Na1 Mn6 3.102(19) . 101_445 n Na1 O6 2.587(19) . 1_545 n Na1 O6 2.587(19) . 1_555 n Na1 O9 2.656(24) . 1_555 n Na1 O10 2.510(18) . 2_646 n Na1 O10 2.510(18) . 2_656 n Na1 O13 2.368(17) . 101_445 n Na1 O13 2.368(17) . 101_455 n Na1 Na1 2.83987(6) . 1_545 n Na1 Na1 2.83987(6) . 1_565 n Na1 Na1 4.18(4) . 102_546 n Na1 Na1 4.18(4) . 102_556 n Na2 Mn1 3.559(16) . 1_555 n Na2 Mn1 3.559(16) . 1_565 n Na2 Mn2 3.384(18) . 1_555 n Na2 Mn4 3.068(17) . 1_555 n Na2 Mn5 3.400(16) . 1_555 n Na2 Mn5 3.400(16) . 1_565 n Na2 Mn6 3.370(18) . 1_555 n Na2 O1 2.475(16) . 1_555 n Na2 O1 2.475(16) . 1_565 n Na2 O2 2.879(25) . 1_555 n Na2 O7 2.584(18) . 1_555 n Na2 O7 2.584(18) . 1_565 n Na2 O8 2.472(22) . 1_555 n Na2 O11 2.553(18) . 1_555 n Na2 O11 2.553(18) . 1_565 n Na2 Na2 2.83987(6) . 1_545 n Na2 Na2 2.83987(6) . 1_565 n Na3 Mn2 3.224(4) . 1_555 n Na3 Mn2 3.224(4) . 102_545 n Na3 Mn3 3.296(4) . 1_555 n Na3 Mn3 3.296(4) . 102_555 n Na3 Mn7 3.110(4) . 2_655 n Na3 Mn7 3.110(4) . 101_455 n Na3 O3 2.385(15) . 2_655 n Na3 O3 3.118(11) . 2_665 n Na3 O3 3.118(11) . 101_445 n Na3 O3 2.385(15) . 101_455 n Na3 O4 2.652(16) . 1_555 n Na3 O4 2.652(16) . 102_545 n Na3 O5 2.276(15) . 1_555 n Na3 O5 3.036(11) . 1_565 n Na3 O5 3.036(11) . 102_545 n Na3 O5 2.276(15) . 102_555 n Na3 Na3 2.83987(6) . 1_545 n Na3 Na3 2.83987(6) . 1_565 n Na3 Na3 1.419930(30) . -2_555 n Na3 Na3 1.419930(30) . -2_565 n