#------------------------------------------------------------------------------ #$Date: 2015-04-02 14:22:18 +0300 (Thu, 02 Apr 2015) $ #$Revision: 134621 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/15/2101517.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_2101517 loop_ _publ_author_name 'Hammond, R.' 'Barbier, J.' _publ_section_title ; Structural chemistry of NaCoPO~4~ ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 440 _journal_page_last 449 _journal_paper_doi 10.1107/S0108768195016259 _journal_volume 52 _journal_year 1996 _chemical_formula_sum 'Co Na O4 P' _chemical_formula_weight 176.89 _chemical_name_systematic ; /b-sodium cobalt phosphate ; _space_group_IT_number 170 _symmetry_cell_setting hexagonal _symmetry_space_group_name_Hall 'P 65' _symmetry_space_group_name_H-M 'P 65' _audit_creation_method SHELXL _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_formula_units_Z 24 _cell_length_a 10.1660(10) _cell_length_b 10.1660(10) _cell_length_c 23.881(5) _cell_measurement_reflns_used 26 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 15.96 _cell_measurement_theta_min 9.91 _cell_volume 2137.4(5) _computing_molecular_graphics 'SHELXTL-Plus (Sheldrick, 1991)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _diffrn_ambient_temperature 293(2) _diffrn_measurement_device 'Siemens R3m/V diffractometer' _diffrn_measurement_method '\q-2\q scan' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type AgK\a _diffrn_radiation_wavelength 0.56086 _diffrn_reflns_av_R_equivalents 0.0442 _diffrn_reflns_av_sigmaI/netI 0.0835 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 42 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_number 8766 _diffrn_reflns_theta_max 30.08 _diffrn_reflns_theta_min 1.83 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 'every 100 reflections' _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 2.704 _exptl_absorpt_correction_T_max 0.967 _exptl_absorpt_correction_T_min 0.652 _exptl_absorpt_correction_type 'empirical from \y-scans' _exptl_crystal_colour 'dark blue' _exptl_crystal_density_diffrn 3.298 _exptl_crystal_density_meas ? _exptl_crystal_density_method . _exptl_crystal_description '(1 1 0) twinned, irregular prism' _exptl_crystal_F_000 2040 _exptl_crystal_size_max 0.34 _exptl_crystal_size_mid 0.27 _exptl_crystal_size_min 0.15 _refine_diff_density_max 0.922 _refine_diff_density_min -0.938 _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.10(3) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_all 0.939 _refine_ls_goodness_of_fit_obs 1.024 _refine_ls_hydrogen_treatment noref _refine_ls_matrix_type full _refine_ls_number_parameters 254 _refine_ls_number_reflns 4343 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 0.938 _refine_ls_restrained_S_obs 1.024 _refine_ls_R_factor_all 0.0768 _refine_ls_R_factor_obs 0.0456 _refine_ls_shift/esd_max 0.005 _refine_ls_shift/esd_mean 0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0377P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_all 0.0868 _refine_ls_wR_factor_obs 0.0794 _reflns_number_observed 3117 _reflns_number_total 4343 _reflns_observed_criterion >2sigma(I) _[local]_cod_data_source_file br0046.cif _[local]_cod_data_source_block beta _[local]_cod_chemical_formula_sum_orig 'Na Co P O4' _cod_depositor_comments ; The following automatic conversions were performed: '_refine_ls_weighting_scheme' value 'calc w=1/[\s^2^(Fo^2^)+(0.0377P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was changed to 'calc'. New tag '_refine_ls_weighting_details' was created. The value of the new tag was set to 'w=1/[\s^2^(Fo^2^)+(0.0377P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'. Automatic conversion script Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas ; _cod_database_code 2101517 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z+2/3' '-x+y, -x, z+1/3' '-x, -y, z+1/2' 'y, -x+y, z+1/6' 'x-y, x, z+5/6' loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Na1 0.049(2) 0.031(2) 0.036(2) 0.018(2) 0.021(2) 0.0014(14) Na2 0.039(2) 0.0242(15) 0.027(2) 0.0179(13) -0.0037(14) -0.0105(12) Na3 0.0153(12) 0.0184(12) 0.0172(12) 0.0058(10) 0.0018(10) -0.0025(10) Na4 0.0258(14) 0.0267(15) 0.0225(14) 0.0135(12) -0.0089(11) -0.0079(12) Co1 0.0138(3) 0.0134(3) 0.0137(3) 0.0061(3) -0.0001(3) 0.0012(3) Co2 0.0157(4) 0.0133(4) 0.0192(4) 0.0068(3) 0.0027(3) 0.0000(3) Co3 0.0147(4) 0.0142(4) 0.0123(3) 0.0082(3) 0.0001(3) 0.0002(3) Co4 0.0132(4) 0.0146(4) 0.0139(3) 0.0068(3) -0.0002(3) 0.0004(3) P1 0.0116(6) 0.0097(6) 0.0127(6) 0.0050(5) 0.0006(5) -0.0009(5) P2 0.0133(6) 0.0107(6) 0.0129(6) 0.0061(5) -0.0002(5) -0.0004(5) P3 0.0118(6) 0.0099(6) 0.0123(6) 0.0056(5) 0.0004(5) 0.0000(5) P4 0.0102(6) 0.0110(6) 0.0120(6) 0.0048(5) -0.0005(5) -0.0007(5) O1 0.012(2) 0.022(2) 0.021(2) 0.010(2) 0.005(2) 0.006(2) O2 0.028(2) 0.033(2) 0.011(2) 0.020(2) 0.004(2) 0.006(2) O3 0.025(2) 0.023(2) 0.021(2) 0.018(2) -0.005(2) -0.005(2) O4 0.023(2) 0.021(2) 0.018(2) 0.014(2) 0.013(2) 0.009(2) O5 0.023(2) 0.012(2) 0.019(2) 0.008(2) -0.006(2) -0.002(2) O6 0.010(2) 0.015(2) 0.027(2) 0.003(2) 0.000(2) -0.003(2) O7 0.023(2) 0.028(2) 0.012(2) 0.000(2) 0.001(2) 0.004(2) O8 0.013(2) 0.014(2) 0.038(3) 0.004(2) 0.001(2) -0.005(2) O9 0.020(2) 0.015(2) 0.013(2) 0.008(2) 0.003(2) -0.0036(15) O10 0.010(2) 0.020(2) 0.024(2) 0.005(2) 0.000(2) -0.010(2) O11 0.013(2) 0.016(2) 0.021(2) 0.007(2) 0.006(2) -0.002(2) O12 0.038(3) 0.023(2) 0.008(2) 0.019(2) -0.005(2) 0.001(2) O13 0.023(2) 0.020(2) 0.013(2) 0.006(2) -0.001(2) -0.002(2) O14 0.014(2) 0.015(2) 0.036(3) 0.005(2) -0.005(2) -0.007(2) O15 0.022(2) 0.013(2) 0.021(2) 0.011(2) 0.006(2) 0.000(2) O16 0.026(2) 0.021(2) 0.018(2) 0.015(2) -0.009(2) -0.005(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_occupancy _atom_site_type_symbol Na1 0.0318(4) 0.0379(4) 0.0887(2) 0.0392(8) Uani d 1 Na Na2 0.9633(4) 0.5110(3) 0.08741(14) 0.0291(7) Uani d 1 Na Na3 0.5329(3) 0.0475(3) 0.08716(11) 0.0181(5) Uani d 1 Na Na4 0.5596(3) 0.4949(3) 0.08139(13) 0.0248(6) Uani d 1 Na Co1 0.34251(9) 0.67147(10) 0.14977(4) 0.01395(13) Uani d 1 Co Co2 0.68563(10) 0.85143(10) 0.01533(3) 0.0163(2) Uani d 1 Co Co3 0.20792(9) 0.38073(10) 0.04185(3) 0.0133(2) Uani d 1 Co Co4 0.18404(9) 0.88352(9) 0.01197(3) 0.01396(15) Uani d 1 Co P1 0.3279(2) 0.6876(2) 0.01435(6) 0.0115(3) Uani d 1 P P2 0.6895(2) 0.8364(2) 0.14593(6) 0.0122(3) Uani d 1 P P3 0.2161(2) 0.3484(2) 0.17330(6) 0.0112(3) Uani d 1 P P4 0.2118(2) 0.8820(2) 0.14400(6) 0.0113(3) Uani d 1 P O1 0.7163(5) 0.2037(6) 0.0254(2) 0.0176(9) Uani d 1 O O2 0.6298(6) 0.2652(6) 0.9074(2) 0.0221(9) Uani d 1 O O3 0.2672(5) 0.8137(5) 0.8471(2) 0.0202(9) Uani d 1 O O4 0.6681(5) 0.1475(5) 0.6716(2) 0.0194(9) Uani d 1 O O5 0.7042(5) 0.9936(5) 0.1361(2) 0.0181(9) Uani d 1 O O6 0.0576(5) 0.2066(5) 0.1685(2) 0.0185(9) Uani d 1 O O7 0.2383(6) 0.9174(6) 0.7560(2) 0.0269(11) Uani d 1 O O8 0.4826(5) 0.8323(5) 0.0134(2) 0.0233(10) Uani d 1 O O9 0.6785(5) 0.9912(5) 0.8839(2) 0.0167(8) Uani d 1 O O10 0.5507(5) 0.2199(5) 0.1554(2) 0.0191(9) Uani d 1 O O11 0.1957(5) 0.1885(5) 0.0130(2) 0.0172(9) Uani d 1 O O12 0.6159(6) 0.9152(6) 0.7827(2) 0.0217(10) Uani d 1 O O13 0.2698(5) 0.9536(5) 0.0868(2) 0.0208(9) Uani d 1 O O14 0.9719(5) 0.8331(5) 0.0107(2) 0.0224(10) Uani d 1 O O15 0.3265(5) 0.0595(5) 0.9696(2) 0.0178(9) Uani d 1 O O16 0.2164(5) 0.7205(5) 0.9821(2) 0.0201(9) Uani d 1 O loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source O O 0.0056 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Na Na 0.0218 0.0150 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.0667 0.0580 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Co Co 0.3050 0.6296 '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_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag O11 Na1 O6 . . 109.5(2) yes O11 Na1 O14 . 1_445 77.6(2) yes O6 Na1 O14 . 1_445 172.6(2) yes O11 Na1 O6 . 6_554 71.0(2) yes O6 Na1 O6 . 6_554 111.1(2) yes O14 Na1 O6 1_445 6_554 68.7(2) yes O11 Na1 O14 . 5_455 178.8(2) yes O6 Na1 O14 . 5_455 70.3(2) yes O14 Na1 O14 1_445 5_455 102.5(2) yes O6 Na1 O14 6_554 5_455 107.8(2) yes O11 Na1 O11 . 5 114.0(2) yes O6 Na1 O11 . 5 69.7(2) yes O14 Na1 O11 1_445 5 109.8(2) yes O6 Na1 O11 6_554 5 174.6(2) yes O14 Na1 O11 5_455 5 67.2(2) yes O11 Na1 O13 . 1_545 76.5(2) yes O6 Na1 O13 . 1_545 113.2(2) yes O14 Na1 O13 1_445 1_545 69.9(2) yes O6 Na1 O13 6_554 1_545 131.6(2) yes O14 Na1 O13 5_455 1_545 104.7(2) yes O11 Na1 O13 5 1_545 50.28(15) yes O11 Na1 Co3 . . 38.74(11) yes O6 Na1 Co3 . . 73.14(13) yes O14 Na1 Co3 1_445 . 113.2(2) yes O6 Na1 Co3 6_554 . 72.51(13) yes O14 Na1 Co3 5_455 . 140.7(2) yes O11 Na1 Co3 5 . 112.60(14) yes O13 Na1 Co3 1_545 . 102.53(13) yes O11 Na1 P4 . 1_545 103.6(2) yes O6 Na1 P4 . 1_545 97.7(2) yes O14 Na1 P4 1_445 1_545 82.26(15) yes O6 Na1 P4 6_554 1_545 151.0(2) yes O14 Na1 P4 5_455 1_545 77.58(13) yes O11 Na1 P4 5 1_545 28.01(10) yes O13 Na1 P4 1_545 1_545 27.95(10) yes Co3 Na1 P4 . 1_545 121.79(12) yes O11 Na1 Co4 . 1_545 62.74(13) yes O6 Na1 Co4 . 1_545 148.2(2) yes O14 Na1 Co4 1_445 1_545 36.74(11) yes O6 Na1 Co4 6_554 1_545 95.91(14) yes O14 Na1 Co4 5_455 1_545 118.04(15) yes O11 Na1 Co4 5 1_545 85.03(14) yes O13 Na1 Co4 1_545 1_545 36.35(10) yes Co3 Na1 Co4 . 1_545 100.66(9) yes P4 Na1 Co4 1_545 1_545 58.27(8) yes O11 Na1 P2 . 1_445 151.2(2) yes O6 Na1 P2 . 1_445 80.03(14) yes O14 Na1 P2 1_445 1_445 92.68(14) yes O6 Na1 P2 6_554 1_445 80.16(14) yes O14 Na1 P2 5_455 1_445 27.67(10) yes O11 Na1 P2 5 1_445 94.81(13) yes O13 Na1 P2 1_545 1_445 125.91(14) yes Co3 Na1 P2 . 1_445 130.87(13) yes P4 Na1 P2 1_545 1_445 101.77(10) yes Co4 Na1 P2 1_545 1_445 122.46(11) yes O11 Na1 P3 . . 88.34(15) yes O6 Na1 P3 . . 24.35(11) yes O14 Na1 P3 1_445 . 162.8(2) yes O6 Na1 P3 6_554 . 116.23(14) yes O14 Na1 P3 5_455 . 91.79(14) yes O11 Na1 P3 5 . 66.84(12) yes O13 Na1 P3 1_545 . 97.32(14) yes Co3 Na1 P3 . . 56.86(6) yes P4 Na1 P3 1_545 . 91.60(11) yes Co4 Na1 P3 1_545 . 127.19(12) yes P2 Na1 P3 1_445 . 104.36(10) yes O15 Na2 O9 5_664 5_554 150.1(2) yes O15 Na2 O3 5_664 5_554 102.2(2) yes O9 Na2 O3 5_554 5_554 101.9(2) yes O15 Na2 O8 5_664 5 91.1(2) yes O9 Na2 O8 5_554 5 91.2(2) yes O3 Na2 O8 5_554 5 121.6(2) yes O15 Na2 O2 5_664 5_664 76.8(2) yes O9 Na2 O2 5_554 5_664 76.1(2) yes O3 Na2 O2 5_554 5_664 119.3(2) yes O8 Na2 O2 5 5_664 119.1(2) yes O15 Na2 O16 5_664 5_554 72.5(2) yes O9 Na2 O16 5_554 5_554 130.5(2) yes O3 Na2 O16 5_554 5_554 77.3(2) yes O8 Na2 O16 5 5_554 53.1(2) yes O2 Na2 O16 5_664 5_554 147.7(2) yes O15 Na2 Co4 5_664 5 35.57(12) yes O9 Na2 Co4 5_554 5 158.3(2) yes O3 Na2 Co4 5_554 5 92.2(2) yes O8 Na2 Co4 5 5 67.32(13) yes O2 Na2 Co4 5_664 5 111.30(13) yes O16 Na2 Co4 5_554 5 37.02(10) yes O15 Na2 P3 5_664 6_654 172.0(2) yes O9 Na2 P3 5_554 6_654 25.84(11) yes O3 Na2 P3 5_554 6_654 77.95(13) yes O8 Na2 P3 5 6_654 95.55(13) yes O2 Na2 P3 5_664 6_654 96.14(14) yes O16 Na2 P3 5_554 6_654 115.12(14) yes Co4 Na2 P3 5 6_654 152.12(11) yes O15 Na2 P1 5_664 5 87.67(15) yes O9 Na2 P1 5_554 5 107.0(2) yes O3 Na2 P1 5_554 5 96.3(2) yes O8 Na2 P1 5 5 27.04(11) yes O2 Na2 P1 5_664 5 143.3(2) yes O16 Na2 P1 5_554 5 27.73(10) yes Co4 Na2 P1 5 5 54.48(6) yes P3 Na2 P1 6_654 5 100.25(9) yes O15 Na2 Co3 5_664 1_655 119.7(2) yes O9 Na2 Co3 5_554 1_655 31.66(12) yes O3 Na2 Co3 5_554 1_655 115.9(2) yes O8 Na2 Co3 5 1_655 104.66(14) yes O2 Na2 Co3 5_664 1_655 44.48(11) yes O16 Na2 Co3 5_554 1_655 156.58(14) yes Co4 Na2 Co3 5 1_655 148.97(11) yes P3 Na2 Co3 6_654 1_655 54.30(5) yes P1 Na2 Co3 5 1_655 128.89(10) yes O15 Na2 Co1 5_664 6_654 132.1(2) yes O9 Na2 Co1 5_554 6_654 75.88(13) yes O3 Na2 Co1 5_554 6_654 31.89(11) yes O8 Na2 Co1 5 6_654 103.98(14) yes O2 Na2 Co1 5_664 6_654 128.31(15) yes O16 Na2 Co1 5_554 6_654 81.06(13) yes Co4 Na2 Co1 5 6_654 110.77(10) yes P3 Na2 Co1 6_654 6_654 50.11(5) yes P1 Na2 Co1 5 6_654 86.58(8) yes Co3 Na2 Co1 1_655 6_654 100.24(8) yes O15 Na2 Na4 5_664 . 89.01(15) yes O9 Na2 Na4 5_554 . 120.7(2) yes O3 Na2 Na4 5_554 . 44.80(14) yes O8 Na2 Na4 5 . 79.64(13) yes O2 Na2 Na4 5_664 . 156.2(2) yes O16 Na2 Na4 5_554 . 33.11(11) yes Co4 Na2 Na4 5 . 59.99(7) yes P3 Na2 Na4 6_654 . 96.42(9) yes P1 Na2 Na4 5 . 52.78(7) yes Co3 Na2 Na4 1_655 . 150.47(10) yes Co1 Na2 Na4 6_654 . 51.11(7) yes O1 Na3 O10 . . 101.5(2) yes O1 Na3 O13 . 1_545 130.4(2) yes O10 Na3 O13 . 1_545 87.3(2) yes O1 Na3 O5 . 1_545 92.3(2) yes O10 Na3 O5 . 1_545 92.2(2) yes O13 Na3 O5 1_545 1_545 136.5(2) yes O1 Na3 O8 . 1_545 84.1(2) yes O10 Na3 O8 . 1_545 173.9(2) yes O13 Na3 O8 1_545 1_545 87.2(2) yes O5 Na3 O8 1_545 1_545 89.9(2) yes O1 Na3 O4 . 4_654 173.3(2) yes O10 Na3 O4 . 4_654 77.7(2) yes O13 Na3 O4 1_545 4_654 56.3(2) yes O5 Na3 O4 1_545 4_654 81.1(2) yes O8 Na3 O4 1_545 4_654 97.0(2) yes O1 Na3 P4 . 1_545 157.2(2) yes O10 Na3 P4 . 1_545 76.68(13) yes O13 Na3 P4 1_545 1_545 27.74(12) yes O5 Na3 P4 1_545 1_545 110.44(15) yes O8 Na3 P4 1_545 1_545 97.21(13) yes O4 Na3 P4 4_654 1_545 29.38(10) yes O1 Na3 Co2 . 1_545 69.00(13) yes O10 Na3 Co2 . 1_545 150.96(15) yes O13 Na3 Co2 1_545 1_545 120.18(15) yes O5 Na3 Co2 1_545 1_545 61.89(12) yes O8 Na3 Co2 1_545 1_545 33.68(11) yes O4 Na3 Co2 4_654 1_545 108.45(12) yes P4 Na3 Co2 1_545 1_545 122.82(8) yes O1 Na3 Co4 . 1_545 106.00(15) yes O10 Na3 Co4 . 1_545 112.88(14) yes O13 Na3 Co4 1_545 1_545 30.90(12) yes O5 Na3 Co4 1_545 1_545 144.43(14) yes O8 Na3 Co4 1_545 1_545 62.77(12) yes O4 Na3 Co4 4_654 1_545 80.29(11) yes P4 Na3 Co4 1_545 1_545 56.02(5) yes Co2 Na3 Co4 1_545 1_545 96.15(6) yes O1 Na3 Co1 . 6_654 29.63(11) yes O10 Na3 Co1 . 6_654 90.27(15) yes O13 Na3 Co1 1_545 6_654 103.12(15) yes O5 Na3 Co1 1_545 6_654 120.42(14) yes O8 Na3 Co1 1_545 6_654 93.58(14) yes O4 Na3 Co1 4_654 6_654 156.12(14) yes P4 Na3 Co1 1_545 6_654 127.90(9) yes Co2 Na3 Co1 1_545 6_654 92.09(6) yes Co4 Na3 Co1 1_545 6_654 85.65(6) yes O1 Na3 Na4 . 5 138.9(2) yes O10 Na3 Na4 . 5 59.99(14) yes O13 Na3 Na4 1_545 5 87.68(14) yes O5 Na3 Na4 1_545 5 55.61(13) yes O8 Na3 Na4 1_545 5 117.1(2) yes O4 Na3 Na4 4_654 5 35.19(10) yes P4 Na3 Na4 1_545 5 60.11(7) yes Co2 Na3 Na4 1_545 5 108.40(9) yes Co4 Na3 Na4 1_545 5 115.00(8) yes Co1 Na3 Na4 6_654 5 148.14(8) yes O1 Na3 Na2 . 6_544 61.51(14) yes O10 Na3 Na2 . 6_544 140.6(2) yes O13 Na3 Na2 1_545 6_544 80.90(15) yes O5 Na3 Na2 1_545 6_544 121.78(15) yes O8 Na3 Na2 1_545 6_544 40.59(14) yes O4 Na3 Na2 4_654 6_544 123.15(13) yes P4 Na3 Na2 1_545 6_544 105.32(9) yes Co2 Na3 Na2 1_545 6_544 60.27(6) yes Co4 Na3 Na2 1_545 6_544 50.12(6) yes Co1 Na3 Na2 6_654 6_544 56.85(6) yes Na4 Na3 Na2 5 6_544 154.93(9) yes O16 Na4 O4 5_554 3_664 125.2(2) yes O16 Na4 O7 5_554 3_564 87.1(2) yes O4 Na4 O7 3_664 3_564 132.7(2) yes O16 Na4 O12 5_554 3_564 111.9(2) yes O4 Na4 O12 3_664 3_564 91.4(2) yes O7 Na4 O12 3_564 3_564 108.6(2) yes O16 Na4 O3 5_554 5_554 80.0(2) yes O4 Na4 O3 3_664 5_554 69.5(2) yes O7 Na4 O3 3_564 5_554 86.3(2) yes O12 Na4 O3 3_564 5_554 160.8(2) yes O16 Na4 Co3 5_554 . 148.5(2) yes O4 Na4 Co3 3_664 . 65.91(13) yes O7 Na4 Co3 3_564 . 105.8(2) yes O12 Na4 Co3 3_564 . 36.97(11) yes O3 Na4 Co3 5_554 . 128.52(14) yes O16 Na4 Co1 5_554 6_654 96.5(2) yes O4 Na4 Co1 3_664 6_654 35.74(12) yes O7 Na4 Co1 3_564 6_654 119.7(2) yes O12 Na4 Co1 3_564 6_654 124.7(2) yes O3 Na4 Co1 5_554 6_654 36.56(10) yes Co3 Na4 Co1 . 6_654 101.36(8) yes O16 Na4 P1 5_554 5 23.50(12) yes O4 Na4 P1 3_664 5 109.8(2) yes O7 Na4 P1 3_564 5 109.5(2) yes O12 Na4 P1 3_564 5 97.18(15) yes O3 Na4 P1 5_554 5 88.60(13) yes Co3 Na4 P1 . 5 129.77(10) yes Co1 Na4 P1 6_654 5 90.99(8) yes O16 Na4 P2 5_554 . 74.47(14) yes O4 Na4 P2 3_664 . 154.5(2) yes O7 Na4 P2 3_564 . 22.71(12) yes O12 Na4 P2 3_564 . 95.5(2) yes O3 Na4 P2 5_554 . 102.38(12) yes Co3 Na4 P2 . . 106.76(9) yes Co1 Na4 P2 6_654 . 138.56(10) yes P1 Na4 P2 5 . 93.74(8) yes O16 Na4 Co2 5_554 . 112.91(15) yes O4 Na4 Co2 3_664 . 101.4(2) yes O7 Na4 Co2 3_564 . 31.55(12) yes O12 Na4 Co2 3_564 . 112.1(2) yes O3 Na4 Co2 5_554 . 74.38(11) yes Co3 Na4 Co2 . . 90.38(8) yes Co1 Na4 Co2 6_654 . 97.44(8) yes P1 Na4 Co2 5 . 136.40(9) yes P2 Na4 Co2 . . 53.32(5) yes O16 Na4 Na3 5_554 6_554 148.5(2) yes O4 Na4 Na3 3_664 6_554 44.99(14) yes O7 Na4 Na3 3_564 6_554 88.85(14) yes O12 Na4 Na3 3_564 6_554 99.07(14) yes O3 Na4 Na3 5_554 6_554 68.53(12) yes Co3 Na4 Na3 . 6_554 62.10(7) yes Co1 Na4 Na3 6_654 6_554 59.02(6) yes P1 Na4 Na3 5 6_554 149.98(10) yes P2 Na4 Na3 . 6_554 109.56(9) yes Co2 Na4 Na3 . 6_554 57.35(6) yes O16 Na4 Na2 5_554 . 43.3(2) yes O4 Na4 Na2 3_664 . 92.51(15) yes O7 Na4 Na2 3_564 . 91.2(2) yes O12 Na4 Na2 3_564 . 148.5(2) yes O3 Na4 Na2 5_554 . 37.37(11) yes Co3 Na4 Na2 . . 158.14(10) yes Co1 Na4 Na2 6_654 . 57.57(6) yes P1 Na4 Na2 5 . 52.34(7) yes P2 Na4 Na2 . . 94.27(8) yes Co2 Na4 Na2 . . 97.70(8) yes Na3 Na4 Na2 6_554 . 105.64(9) yes O2 Co1 O4 5_564 4_664 102.6(2) yes O2 Co1 O1 5_564 5_565 105.6(2) yes O4 Co1 O1 4_664 5_565 113.9(2) yes O2 Co1 O3 5_564 3_564 131.9(2) yes O4 Co1 O3 4_664 3_564 98.4(2) yes O1 Co1 O3 5_565 3_564 104.5(2) yes O2 Co1 Na4 5_564 5_565 143.0(2) yes O4 Co1 Na4 4_664 5_565 43.61(14) yes O1 Co1 Na4 5_565 5_565 103.3(2) yes O3 Co1 Na4 3_564 5_565 59.4(2) yes O2 Co1 Na2 5_564 5_565 143.4(2) yes O4 Co1 Na2 4_664 5_565 113.78(15) yes O1 Co1 Na2 5_565 5_565 63.4(2) yes O3 Co1 Na2 3_564 5_565 41.11(15) yes Na4 Co1 Na2 5_565 5_565 71.32(7) yes O2 Co1 Na3 5_564 5_565 113.1(2) yes O4 Co1 Na3 4_664 5_565 78.9(2) yes O1 Co1 Na3 5_565 5_565 35.02(13) yes O3 Co1 Na3 3_564 5_565 113.2(2) yes Na4 Co1 Na3 5_565 5_565 79.52(7) yes Na2 Co1 Na3 5_565 5_565 78.66(7) yes O6 Co2 O5 6_664 6_654 110.8(2) yes O6 Co2 O8 6_664 . 113.5(2) yes O5 Co2 O8 6_654 . 115.9(2) yes O6 Co2 O7 6_664 3_564 117.2(2) yes O5 Co2 O7 6_654 3_564 97.7(2) yes O8 Co2 O7 . 3_564 100.6(2) yes O6 Co2 Na1 6_664 1_665 53.87(15) yes O5 Co2 Na1 6_654 1_665 102.24(15) yes O8 Co2 Na1 . 1_665 141.2(2) yes O7 Co2 Na1 3_564 1_665 66.2(2) yes O6 Co2 Na1 6_664 6_664 43.19(15) yes O5 Co2 Na1 6_654 6_664 68.0(2) yes O8 Co2 Na1 . 6_664 130.6(2) yes O7 Co2 Na1 3_564 6_664 128.5(2) yes Na1 Co2 Na1 1_665 6_664 69.17(7) yes O6 Co2 Na3 6_664 1_565 81.93(14) yes O5 Co2 Na3 6_654 1_565 163.83(15) yes O8 Co2 Na3 . 1_565 48.15(15) yes O7 Co2 Na3 3_564 1_565 84.44(15) yes Na1 Co2 Na3 1_665 1_565 93.31(7) yes Na1 Co2 Na3 6_664 1_565 122.86(8) yes O6 Co2 Na4 6_664 . 147.96(15) yes O5 Co2 Na4 6_654 . 65.77(15) yes O8 Co2 Na4 . . 94.8(2) yes O7 Co2 Na4 3_564 . 38.7(2) yes Na1 Co2 Na4 1_665 . 94.71(8) yes Na1 Co2 Na4 6_664 . 125.83(8) yes Na3 Co2 Na4 1_565 . 108.94(7) yes O9 Co3 O12 5_454 3_564 110.1(2) yes O9 Co3 O10 5_454 6_554 118.5(2) yes O12 Co3 O10 3_564 6_554 117.7(2) yes O9 Co3 O11 5_454 . 100.4(2) yes O12 Co3 O11 3_564 . 97.0(2) yes O10 Co3 O11 6_554 . 109.3(2) yes O9 Co3 P1 5_454 . 101.78(15) yes O12 Co3 P1 3_564 . 104.5(2) yes O10 Co3 P1 6_554 . 32.08(13) yes O11 Co3 P1 . . 141.33(14) yes O9 Co3 Na1 5_454 . 70.3(2) yes O12 Co3 Na1 3_564 . 73.3(2) yes O10 Co3 Na1 6_554 . 157.68(14) yes O11 Co3 Na1 . . 48.55(14) yes P1 Co3 Na1 . . 169.73(8) yes O9 Co3 Na4 5_454 . 157.28(14) yes O12 Co3 Na4 3_564 . 47.55(14) yes O10 Co3 Na4 6_554 . 77.2(2) yes O11 Co3 Na4 . . 88.25(14) yes P1 Co3 Na4 . . 83.29(7) yes Na1 Co3 Na4 . . 101.53(9) yes O9 Co3 Na2 5_454 1_455 38.81(14) yes O12 Co3 Na2 3_564 1_455 97.46(15) yes O10 Co3 Na2 6_554 1_455 97.14(14) yes O11 Co3 Na2 . 1_455 139.18(13) yes P1 Co3 Na2 . 1_455 69.51(6) yes Na1 Co3 Na2 . 1_455 100.64(8) yes Na4 Co3 Na2 . 1_455 128.61(8) yes O15 Co4 O14 1_564 1_455 116.9(2) yes O15 Co4 O13 1_564 . 98.6(2) yes O14 Co4 O13 1_455 . 110.0(2) yes O15 Co4 O16 1_564 1_554 103.0(2) yes O14 Co4 O16 1_455 1_554 113.5(2) yes O13 Co4 O16 . 1_554 113.8(2) yes O15 Co4 Na2 1_564 6_554 43.36(14) yes O14 Co4 Na2 1_455 6_554 137.0(2) yes O13 Co4 Na2 . 6_554 110.8(2) yes O16 Co4 Na2 1_554 6_554 59.9(2) yes O15 Co4 Na1 1_564 1_565 99.50(14) yes O14 Co4 Na1 1_455 1_565 53.7(2) yes O13 Co4 Na1 . 1_565 62.9(2) yes O16 Co4 Na1 1_554 1_565 157.5(2) yes Na2 Co4 Na1 6_554 1_565 142.62(8) yes O15 Co4 Na3 1_564 1_565 73.8(2) yes O14 Co4 Na3 1_455 1_565 147.4(2) yes O13 Co4 Na3 . 1_565 37.97(15) yes O16 Co4 Na3 1_554 1_565 91.72(14) yes Na2 Co4 Na3 6_554 1_565 72.97(7) yes Na1 Co4 Na3 1_565 1_565 95.32(8) yes O8 P1 O10 . 6_554 113.0(3) yes O8 P1 O16 . 1_554 107.4(3) yes O10 P1 O16 6_554 1_554 110.3(3) yes O8 P1 O2 . 5_564 113.3(3) yes O10 P1 O2 6_554 5_564 104.4(3) yes O16 P1 O2 1_554 5_564 108.3(3) yes O8 P1 Co3 . . 138.0(2) yes O10 P1 Co3 6_554 . 43.8(2) yes O16 P1 Co3 1_554 . 113.7(2) yes O2 P1 Co3 5_564 . 61.7(2) yes O8 P1 Na2 . 6_554 53.0(2) yes O10 P1 Na2 6_554 6_554 109.1(2) yes O16 P1 Na2 1_554 6_554 59.2(2) yes O2 P1 Na2 5_564 6_554 146.5(2) yes Co3 P1 Na2 . 6_554 150.76(8) yes O8 P1 Na4 . 6_554 127.4(2) yes O10 P1 Na4 6_554 6_554 74.7(2) yes O16 P1 Na4 1_554 6_554 35.9(2) yes O2 P1 Na4 5_564 6_554 114.4(2) yes Co3 P1 Na4 . 6_554 85.10(7) yes Na2 P1 Na4 6_554 6_554 74.88(8) yes O7 P2 O3 3_564 3_564 109.0(3) yes O7 P2 O14 3_564 5_565 109.6(3) yes O3 P2 O14 3_564 5_565 110.1(3) yes O7 P2 O5 3_564 . 109.1(3) yes O3 P2 O5 3_564 . 111.0(3) yes O14 P2 O5 5_565 . 108.0(3) yes O7 P2 Na1 3_564 1_665 74.5(2) yes O3 P2 Na1 3_564 1_665 168.9(2) yes O14 P2 Na1 5_565 1_665 59.1(2) yes O5 P2 Na1 . 1_665 76.7(2) yes O7 P2 Na4 3_564 . 36.6(2) yes O3 P2 Na4 3_564 . 78.0(2) yes O14 P2 Na4 5_565 . 103.9(2) yes O5 P2 Na4 . . 140.6(2) yes Na1 P2 Na4 1_665 . 101.25(9) yes O6 P3 O1 . 5_565 110.6(3) yes O6 P3 O9 . 3_564 110.1(3) yes O1 P3 O9 5_565 3_564 108.3(3) yes O6 P3 O12 . 3_564 110.2(3) yes O1 P3 O12 5_565 3_564 109.0(3) yes O9 P3 O12 3_564 3_564 108.5(3) yes O6 P3 Na2 . 5_565 146.0(2) yes O1 P3 Na2 5_565 5_565 74.4(2) yes O9 P3 Na2 3_564 5_565 41.2(2) yes O12 P3 Na2 3_564 5_565 98.7(2) yes O6 P3 Na1 . . 41.9(2) yes O1 P3 Na1 5_565 . 139.4(2) yes O9 P3 Na1 3_564 . 109.9(2) yes O12 P3 Na1 3_564 . 71.2(2) yes Na2 P3 Na1 5_565 . 146.10(10) yes O13 P4 O11 . 5_565 108.4(3) yes O13 P4 O15 . 5_564 108.7(3) yes O11 P4 O15 5_565 5_564 110.0(3) yes O13 P4 O4 . 4_664 108.7(3) yes O11 P4 O4 5_565 4_664 109.6(3) yes O15 P4 O4 5_564 4_664 111.3(3) yes O13 P4 Na3 . 1_565 45.9(2) yes O11 P4 Na3 5_565 1_565 110.5(2) yes O15 P4 Na3 5_564 1_565 137.6(2) yes O4 P4 Na3 4_664 1_565 64.9(2) yes O13 P4 Na1 . 1_565 65.1(2) yes O11 P4 Na1 5_565 1_565 62.1(2) yes O15 P4 Na1 5_564 1_565 84.0(2) yes O4 P4 Na1 4_664 1_565 164.6(2) yes Na3 P4 Na1 1_565 1_565 104.58(9) yes P3 O1 Co1 6_654 6_654 111.9(3) yes P3 O1 Na3 6_654 . 132.6(3) yes Co1 O1 Na3 6_654 . 115.4(2) yes P1 O2 Co1 6_655 6_655 137.7(3) yes P1 O2 Na2 6_655 6_545 116.7(3) yes Co1 O2 Na2 6_655 6_545 103.8(2) yes P2 O3 Co1 2_665 2_665 120.0(3) yes P2 O3 Na2 2_665 6 129.1(3) yes Co1 O3 Na2 2_665 6 107.0(2) yes P2 O3 Na4 2_665 6 105.0(2) yes Co1 O3 Na4 2_665 6 84.0(2) yes Na2 O3 Na4 6 6 97.8(2) yes P4 O4 Co1 4_665 4_665 119.2(3) yes P4 O4 Na4 4_665 2_655 139.1(3) yes Co1 O4 Na4 4_665 2_655 100.6(2) yes P4 O4 Na3 4_665 4_655 85.7(2) yes Co1 O4 Na3 4_665 4_655 96.2(2) yes Na4 O4 Na3 2_655 4_655 99.8(2) yes P2 O5 Co2 . 5_565 118.2(3) yes P2 O5 Na3 . 1_565 127.5(3) yes Co2 O5 Na3 5_565 1_565 112.8(2) yes P3 O6 Co2 . 5_455 134.3(3) yes P3 O6 Na1 . . 113.8(3) yes Co2 O6 Na1 5_455 . 104.4(2) yes P3 O6 Na1 . 5 106.4(2) yes Co2 O6 Na1 5_455 5 92.5(2) yes Na1 O6 Na1 . 5 96.9(2) yes P2 O7 Co2 2_665 2_665 125.7(3) yes P2 O7 Na4 2_665 2_665 120.7(3) yes Co2 O7 Na4 2_665 2_665 109.7(2) yes P1 O8 Co2 . . 128.1(3) yes P1 O8 Na3 . 1_565 117.8(3) yes Co2 O8 Na3 . 1_565 98.2(2) yes P1 O8 Na2 . 6_554 100.0(3) yes Co2 O8 Na2 . 6_554 110.2(2) yes Na3 O8 Na2 1_565 6_554 99.3(2) yes P3 O9 Co3 2_665 6_665 124.2(3) yes P3 O9 Na2 2_665 6 113.0(3) yes Co3 O9 Na2 6_665 6 109.5(2) yes P1 O10 Co3 5 5 104.1(3) yes P1 O10 Na3 5 . 131.9(3) yes Co3 O10 Na3 5 . 122.0(2) yes P4 O11 Co3 6_654 . 115.1(3) yes P4 O11 Na1 6_654 . 142.9(3) yes Co3 O11 Na1 . . 92.7(2) yes P4 O11 Na1 6_654 6_554 89.9(2) yes Co3 O11 Na1 . 6_554 118.6(2) yes Na1 O11 Na1 . 6_554 98.0(2) yes P3 O12 Co3 2_665 2_665 125.8(3) yes P3 O12 Na4 2_665 2_665 138.0(3) yes Co3 O12 Na4 2_665 2_665 95.5(2) yes P4 O13 Co4 . . 130.5(3) yes P4 O13 Na3 . 1_565 106.3(3) yes Co4 O13 Na3 . 1_565 111.1(2) yes P4 O13 Na1 . 1_565 87.0(2) yes Co4 O13 Na1 . 1_565 80.7(2) yes Na3 O13 Na1 1_565 1_565 144.7(2) yes P2 O14 Co4 6_654 1_655 119.6(3) yes P2 O14 Na1 6_654 1_665 148.7(3) yes Co4 O14 Na1 1_655 1_665 89.6(2) yes P2 O14 Na1 6_654 6_664 93.2(2) yes Co4 O14 Na1 1_655 6_664 98.1(2) yes Na1 O14 Na1 1_665 6_664 93.4(2) yes P4 O15 Co4 6_655 1_546 119.8(3) yes P4 O15 Na2 6_655 6_545 139.1(3) yes Co4 O15 Na2 1_546 6_545 101.1(2) yes P1 O16 Co4 1_556 1_556 116.8(3) yes P1 O16 Na4 1_556 6 120.6(3) yes Co4 O16 Na4 1_556 6 121.5(2) yes P1 O16 Na2 1_556 6 93.1(2) yes Co4 O16 Na2 1_556 6 83.1(2) yes Na4 O16 Na2 6 6 103.6(2) yes loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Na1 O11 . 2.415(6) yes Na1 O6 . 2.488(6) yes Na1 O14 1_445 2.628(6) yes Na1 O6 6_554 2.844(6) yes Na1 O14 5_455 2.857(6) yes Na1 O11 5 2.864(6) yes Na1 O13 1_545 2.943(6) yes Na1 Co3 . 3.219(3) yes Na1 P4 1_545 3.241(4) yes Na1 Co4 1_545 3.262(4) yes Na1 P2 1_445 3.324(4) yes Na1 P3 . 3.412(4) yes Na2 O15 5_664 2.281(5) yes Na2 O9 5_554 2.343(5) yes Na2 O3 5_554 2.467(6) yes Na2 O8 5 2.678(7) yes Na2 O2 5_664 2.691(6) yes Na2 O16 5_554 2.841(6) yes Na2 Co4 5 3.260(3) yes Na2 P3 6_654 3.277(3) yes Na2 P1 5 3.302(4) yes Na2 Co3 1_655 3.524(3) yes Na2 Co1 6_654 3.588(3) yes Na2 Na4 . 4.027(4) yes Na3 O1 . 2.283(5) yes Na3 O10 . 2.333(5) yes Na3 O13 1_545 2.348(5) yes Na3 O5 1_545 2.378(5) yes Na3 O8 1_545 2.652(5) yes Na3 O4 4_654 2.849(6) yes Na3 P4 1_545 3.136(3) yes Na3 Co2 1_545 3.524(3) yes Na3 Co4 1_545 3.559(3) yes Na3 Co1 6_654 3.596(3) yes Na3 Na4 5 3.971(4) yes Na3 Na2 6_544 4.062(4) yes Na4 O16 5_554 2.263(5) yes Na4 O4 3_664 2.323(5) yes Na4 O7 3_564 2.361(6) yes Na4 O12 3_564 2.444(6) yes Na4 O3 5_554 2.865(6) yes Na4 Co3 . 3.297(3) yes Na4 Co1 6_654 3.309(3) yes Na4 P1 5 3.322(3) yes Na4 P2 . 3.404(3) yes Na4 Co2 . 3.553(3) yes Na4 Na3 6_554 3.971(4) yes Co1 O2 5_564 1.932(5) yes Co1 O4 4_664 1.967(5) yes Co1 O1 5_565 1.967(5) yes Co1 O3 3_564 1.982(5) yes Co1 Na4 5_565 3.309(3) yes Co1 Na2 5_565 3.588(3) yes Co1 Na3 5_565 3.596(3) yes Co2 O6 6_664 1.950(5) yes Co2 O5 6_654 1.971(4) yes Co2 O8 . 1.975(5) yes Co2 O7 3_564 1.975(5) yes Co2 Na1 1_665 3.518(4) yes Co2 Na1 6_664 3.522(4) yes Co2 Na3 1_565 3.524(3) yes Co3 O9 5_454 1.963(5) yes Co3 O12 3_564 1.992(5) yes Co3 O10 6_554 1.999(5) yes Co3 O11 . 2.016(4) yes Co3 P1 . 2.801(2) yes Co3 Na2 1_455 3.524(3) yes Co4 O15 1_564 1.932(5) yes Co4 O14 1_455 1.952(5) yes Co4 O13 . 1.959(5) yes Co4 O16 1_554 1.977(5) yes Co4 Na2 6_554 3.260(3) yes Co4 Na1 1_565 3.262(4) yes Co4 Na3 1_565 3.559(3) yes P1 O8 . 1.524(5) yes P1 O10 6_554 1.534(4) yes P1 O16 1_554 1.539(5) yes P1 O2 5_564 1.544(5) yes P1 Na2 6_554 3.302(4) yes P1 Na4 6_554 3.322(3) yes P2 O7 3_564 1.528(5) yes P2 O3 3_564 1.539(5) yes P2 O14 5_565 1.546(5) yes P2 O5 . 1.547(4) yes P2 Na1 1_665 3.324(4) yes P3 O6 . 1.538(4) yes P3 O1 5_565 1.547(4) yes P3 O9 3_564 1.552(4) yes P3 O12 3_564 1.553(5) yes P3 Na2 5_565 3.277(3) yes P4 O13 . 1.521(5) yes P4 O11 5_565 1.522(4) yes P4 O15 5_564 1.542(4) yes P4 O4 4_664 1.543(5) yes P4 Na3 1_565 3.136(3) yes P4 Na1 1_565 3.241(4) yes O1 P3 6_654 1.547(4) yes O1 Co1 6_654 1.967(5) yes O2 P1 6_655 1.544(5) yes O2 Co1 6_655 1.932(5) yes O2 Na2 6_545 2.691(6) yes O3 P2 2_665 1.539(5) yes O3 Co1 2_665 1.982(5) yes O3 Na2 6 2.467(6) yes O3 Na4 6 2.865(6) yes O4 P4 4_665 1.543(5) yes O4 Co1 4_665 1.967(5) yes O4 Na4 2_655 2.323(5) yes O4 Na3 4_655 2.849(6) yes O5 Co2 5_565 1.971(4) yes O5 Na3 1_565 2.378(5) yes O6 Co2 5_455 1.950(5) yes O6 Na1 5 2.844(6) yes O7 P2 2_665 1.528(5) yes O7 Co2 2_665 1.975(5) yes O7 Na4 2_665 2.361(6) yes O8 Na3 1_565 2.652(5) yes O8 Na2 6_554 2.678(7) yes O9 P3 2_665 1.552(4) yes O9 Co3 6_665 1.963(5) yes O9 Na2 6 2.343(5) yes O10 P1 5 1.534(4) yes O10 Co3 5 1.999(5) yes O11 P4 6_654 1.522(4) yes O11 Na1 6_554 2.864(6) yes O12 P3 2_665 1.553(5) yes O12 Co3 2_665 1.992(5) yes O12 Na4 2_665 2.444(6) yes O13 Na3 1_565 2.348(5) yes O13 Na1 1_565 2.943(6) yes O14 P2 6_654 1.546(5) yes O14 Co4 1_655 1.952(5) yes O14 Na1 1_665 2.628(6) yes O14 Na1 6_664 2.857(6) yes O15 P4 6_655 1.542(4) yes O15 Co4 1_546 1.932(5) yes O15 Na2 6_545 2.281(5) yes O16 P1 1_556 1.539(5) yes O16 Co4 1_556 1.977(5) yes O16 Na4 6 2.263(5) yes O16 Na2 6 2.841(6) yes