#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:59:59 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179520 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/17/4341739.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_4341739
loop_
_publ_author_name
'Gao, Jianhua'
'Li, Jian'
'Sulejmanovic, Dino'
'Hwu, Shiou-Jyh'
_publ_section_title
;
 M3(P2O7)2(2-)-Type Open Frameworks Featuring [M2O8] and [M3O12]
 Multinuclear Transition-Metal Oxide Units. Serendipitous Synthesis of Six
 Polymorphic Salt-Inclusion Magnetic Solids: Na2M3(P2O7)2·ACl (M =
 Mn, Fe; A = Rb, Cs) and K2M3(P2O7)2·CsCl (M = Fe, Mn).
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1136
_journal_page_last               1144
_journal_paper_doi               10.1021/ic5024696
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'Cl Cs Mn3 Na2 O14 P4'
_chemical_formula_weight         727.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.07(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.201(4)
_cell_length_b                   5.2811(11)
_cell_length_c                   13.913(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1361.5(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0468
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6140
_diffrn_reflns_theta_full        26.36
_diffrn_reflns_theta_max         26.36
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    6.183
_exptl_absorpt_correction_T_max  0.372
_exptl_absorpt_correction_T_min  0.302
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'light pink'
_exptl_crystal_density_diffrn    3.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             1364.0
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.807
_refine_diff_density_min         -1.713
_refine_diff_density_rms         0.218
_refine_ls_extinction_coef       0.0176(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     117
_refine_ls_number_reflns         1392
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0391P)²+3.0950P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0685
_reflns_number_gt                1334
_reflns_number_total             1400
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5024696_si_002.cif
_cod_data_source_block           Na2Mn3(P2O7)2CsCl(1)
_cod_depositor_comments
'Adding full bibliography for 4341739--4341744.cif.'
_cod_original_cell_volume        1361.5(5)
_cod_original_sg_symbol_H-M      c2/c
_cod_database_code               4341739
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cs Cs 0.5000 0.0000 0.0000 0.02010(15) Uani 1 2 d S
Mn1 Mn 0.34240(2) 0.01585(7) 0.15401(4) 0.01084(16) Uani 1 1 d .
Mn2 Mn 0.5000 0.44455(12) 0.2500 0.01369(18) Uani 1 2 d S
Na Na 0.72061(7) 0.9760(2) 0.15284(11) 0.0182(3) Uani 1 1 d .
Cl Cl 0.5000 -0.04249(18) 0.2500 0.0205(2) Uani 1 2 d S
P1 P 0.34239(4) 0.51645(11) 0.00654(6) 0.00875(19) Uani 1 1 d .
P2 P 0.62018(4) 0.49582(10) 0.17330(6) 0.0088(2) Uani 1 1 d .
O1 O 0.54306(12) 0.4924(3) 0.15007(19) 0.0138(5) Uani 1 1 d .
O2 O 0.39136(11) 0.4622(4) -0.05067(17) 0.0145(4) Uani 1 1 d .
O3 O 0.34057(10) 0.2459(4) 0.28517(16) 0.0154(4) Uani 1 1 d .
O4 O 0.38193(9) 0.3688(3) 0.11389(14) 0.0138(4) Uani 1 1 d .
O5 O 0.34223(11) -0.1995(3) 0.02354(15) 0.0168(4) Uani 1 1 d .
O6 O 0.66464(10) 0.7178(4) 0.24238(16) 0.0156(4) Uani 1 1 d .
O7 O 0.73075(9) 0.5910(4) 0.07136(15) 0.0171(4) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
Cl Cl 0.1484 0.1585 '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'
Cs Cs -0.3680 2.1192 '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
O1 Cs O1 180.00(10) 5_655 .
O1 Cs O2 122.32(6) 5_655 .
O1 Cs O2 57.68(6) . .
O1 Cs O2 57.68(6) 5_655 5_655
O1 Cs O2 122.32(6) . 5_655
O2 Cs O2 180.00(7) . 5_655
O1 Cs O1 69.39(7) 5_655 1_545
O1 Cs O1 110.61(7) . 1_545
O2 Cs O1 136.17(6) . 1_545
O2 Cs O1 43.83(6) 5_655 1_545
O1 Cs O1 110.61(7) 5_655 5_665
O1 Cs O1 69.39(7) . 5_665
O2 Cs O1 43.83(6) . 5_665
O2 Cs O1 136.17(6) 5_655 5_665
O1 Cs O1 180.00(3) 1_545 5_665
O1 Cs Cl 117.62(4) 5_655 .
O1 Cs Cl 62.38(4) . .
O2 Cs Cl 85.39(5) . .
O2 Cs Cl 94.61(5) 5_655 .
O1 Cs Cl 56.02(4) 1_545 .
O1 Cs Cl 123.98(4) 5_665 .
O1 Cs Cl 62.38(4) 5_655 5_655
O1 Cs Cl 117.62(4) . 5_655
O2 Cs Cl 94.61(5) . 5_655
O2 Cs Cl 85.39(5) 5_655 5_655
O1 Cs Cl 123.98(4) 1_545 5_655
O1 Cs Cl 56.02(4) 5_665 5_655
Cl Cs Cl 180.0 . 5_655
O1 Cs O3 44.34(5) 5_655 6
O1 Cs O3 135.66(5) . 6
O2 Cs O3 78.53(5) . 6
O2 Cs O3 101.47(5) 5_655 6
O1 Cs O3 95.51(5) 1_545 6
O1 Cs O3 84.49(5) 5_665 6
Cl Cs O3 111.12(4) . 6
Cl Cs O3 68.88(4) 5_655 6
O1 Cs O3 135.66(5) 5_655 2_655
O1 Cs O3 44.34(5) . 2_655
O2 Cs O3 101.47(5) . 2_655
O2 Cs O3 78.53(5) 5_655 2_655
O1 Cs O3 84.49(5) 1_545 2_655
O1 Cs O3 95.51(5) 5_665 2_655
Cl Cs O3 68.88(4) . 2_655
Cl Cs O3 111.12(4) 5_655 2_655
O3 Cs O3 180.0 6 2_655
O1 Cs O2 41.77(5) 5_655 1_545
O1 Cs O2 138.23(5) . 1_545
O2 Cs O2 104.01(6) . 1_545
O2 Cs O2 75.99(6) 5_655 1_545
O1 Cs O2 53.99(5) 1_545 1_545
O1 Cs O2 126.01(5) 5_665 1_545
Cl Cs O2 80.21(4) . 1_545
Cl Cs O2 99.79(4) 5_655 1_545
O3 Cs O2 42.22(5) 6 1_545
O3 Cs O2 137.78(5) 2_655 1_545
O1 Cs O2 138.23(5) 5_655 5_665
O1 Cs O2 41.77(5) . 5_665
O2 Cs O2 75.99(6) . 5_665
O2 Cs O2 104.01(6) 5_655 5_665
O1 Cs O2 126.01(5) 1_545 5_665
O1 Cs O2 53.99(5) 5_665 5_665
Cl Cs O2 99.79(4) . 5_665
Cl Cs O2 80.21(4) 5_655 5_665
O3 Cs O2 137.78(5) 6 5_665
O3 Cs O2 42.22(5) 2_655 5_665
O2 Cs O2 180.0 1_545 5_665
O7 Mn1 O5 95.67(8) 3_445 .
O7 Mn1 O6 94.40(8) 3_445 2_645
O5 Mn1 O6 101.76(7) . 2_645
O7 Mn1 O3 83.18(8) 3_445 .
O5 Mn1 O3 178.39(8) . .
O6 Mn1 O3 79.46(8) 2_645 .
O7 Mn1 O4 99.54(7) 3_445 .
O5 Mn1 O4 94.49(7) . .
O6 Mn1 O4 157.41(7) 2_645 .
O3 Mn1 O4 84.62(7) . .
O7 Mn1 Na 40.94(6) 3_445 3_445
O5 Mn1 Na 131.31(6) . 3_445
O6 Mn1 Na 102.34(6) 2_645 3_445
O3 Mn1 Na 47.19(6) . 3_445
O4 Mn1 Na 77.67(5) . 3_445
O7 Mn1 Na 71.77(6) 3_445 2_645
O5 Mn1 Na 140.00(6) . 2_645
O6 Mn1 Na 44.40(5) 2_645 2_645
O3 Mn1 Na 40.63(5) . 2_645
O4 Mn1 Na 124.58(5) . 2_645
Na Mn1 Na 60.07(3) 3_445 2_645
O7 Mn1 Cs 131.80(6) 3_445 2_655
O5 Mn1 Cs 127.98(5) . 2_655
O6 Mn1 Cs 61.05(5) 2_645 2_655
O3 Mn1 Cs 53.51(5) . 2_655
O4 Mn1 Cs 96.54(5) . 2_655
Na Mn1 Cs 100.70(3) 3_445 2_655
Na Mn1 Cs 61.74(3) 2_645 2_655
O1 Mn2 O1 165.60(10) 2_655 .
O1 Mn2 O4 85.07(8) 2_655 .
O1 Mn2 O4 97.41(8) . .
O1 Mn2 O4 97.41(8) 2_655 2_655
O1 Mn2 O4 85.07(8) . 2_655
O4 Mn2 O4 160.19(10) . 2_655
O1 Mn2 Cl 97.20(5) 2_655 .
O1 Mn2 Cl 97.20(5) . .
O4 Mn2 Cl 80.10(5) . .
O4 Mn2 Cl 80.10(5) 2_655 .
O1 Mn2 Cl 82.80(5) 2_655 1_565
O1 Mn2 Cl 82.80(5) . 1_565
O4 Mn2 Cl 99.90(5) . 1_565
O4 Mn2 Cl 99.90(5) 2_655 1_565
Cl Mn2 Cl 180.000(1) . 1_565
O1 Mn2 Cs 145.50(6) 2_655 .
O1 Mn2 Cs 46.85(5) . .
O4 Mn2 Cs 70.26(5) . .
O4 Mn2 Cs 98.35(5) 2_655 .
Cl Mn2 Cs 55.981(11) . .
Cl Mn2 Cs 124.019(10) 1_565 .
O1 Mn2 Cs 46.85(5) 2_655 2_655
O1 Mn2 Cs 145.50(6) . 2_655
O4 Mn2 Cs 98.35(5) . 2_655
O4 Mn2 Cs 70.26(5) 2_655 2_655
Cl Mn2 Cs 55.981(10) . 2_655
Cl Mn2 Cs 124.019(11) 1_565 2_655
Cs Mn2 Cs 111.96(2) . 2_655
O3 Na O7 151.88(9) 2_665 .
O3 Na O5 86.96(8) 2_665 5_665
O7 Na O5 93.75(8) . 5_665
O3 Na O6 91.74(8) 2_665 4_655
O7 Na O6 115.21(8) . 4_655
O5 Na O6 103.86(8) 5_665 4_655
O3 Na O6 70.64(8) 2_665 .
O7 Na O6 86.92(8) . .
O5 Na O6 127.04(9) 5_665 .
O6 Na O6 123.49(7) 4_655 .
O3 Na O3 123.09(7) 2_665 3
O7 Na O3 69.89(7) . 3
O5 Na O3 143.23(9) 5_665 3
O6 Na O3 59.06(8) 4_655 3
O6 Na O3 86.01(8) . 3
O3 Na P2 106.42(7) 2_665 4_655
O7 Na P2 94.90(6) . 4_655
O5 Na P2 129.06(7) 5_665 4_655
O6 Na P2 29.65(5) 4_655 4_655
O6 Na P2 103.51(7) . 4_655
O3 Na P2 29.77(5) 3 4_655
O3 Na P1 128.08(7) 2_665 5_665
O7 Na P1 25.54(5) . 5_665
O5 Na P1 81.91(6) 5_665 5_665
O6 Na P1 140.18(7) 4_655 5_665
O6 Na P1 76.51(6) . 5_665
O3 Na P1 92.61(6) 3 5_665
P2 Na P1 119.81(4) 4_655 5_665
O3 Na P1 68.97(6) 2_665 5_675
O7 Na P1 118.07(7) . 5_675
O5 Na P1 25.27(5) 5_665 5_675
O6 Na P1 86.48(6) 4_655 5_675
O6 Na P1 129.71(7) . 5_675
O3 Na P1 141.91(6) 3 5_675
P2 Na P1 115.65(4) 4_655 5_675
P1 Na P1 106.96(5) 5_665 5_675
O3 Na P2 86.69(6) 2_665 .
O7 Na P2 67.07(6) . .
O5 Na P2 112.57(7) 5_665 .
O6 Na P2 143.38(7) 4_655 .
O6 Na P2 24.03(5) . .
O3 Na P2 91.66(6) 3 .
P2 Na P2 117.01(4) 4_655 .
P1 Na P2 52.87(3) 5_665 .
P1 Na P2 126.26(5) 5_675 .
O3 Na Mn1 160.77(7) 2_665 3
O7 Na Mn1 35.31(5) . 3
O5 Na Mn1 112.05(7) 5_665 3
O6 Na Mn1 81.18(6) 4_655 3
O6 Na Mn1 98.34(6) . 3
O3 Na Mn1 38.46(5) 3 3
P2 Na Mn1 59.78(3) 4_655 3
P1 Na Mn1 60.76(3) 5_665 3
P1 Na Mn1 127.84(5) 5_675 3
P2 Na Mn1 88.44(3) . 3
O3 Na Mn1 37.63(5) 2_665 2_665
O7 Na Mn1 124.41(7) . 2_665
O5 Na Mn1 120.59(6) 5_665 2_665
O6 Na Mn1 98.42(6) 4_655 2_665
O6 Na Mn1 37.74(5) . 2_665
O3 Na Mn1 95.18(6) 3 2_665
P2 Na Mn1 94.37(4) 4_655 2_665
P1 Na Mn1 112.55(4) 5_665 2_665
P1 Na Mn1 106.34(4) 5_675 2_665
P2 Na Mn1 59.99(3) . 2_665
Mn1 Na Mn1 125.50(4) 3 2_665
Mn2 Cl Mn2 180.000(1) . 1_545
Mn2 Cl Cs 86.308(16) . 2_655
Mn2 Cl Cs 93.692(16) 1_545 2_655
Mn2 Cl Cs 86.308(16) . .
Mn2 Cl Cs 93.692(16) 1_545 .
Cs Cl Cs 172.62(3) 2_655 .
O7 P1 O5 113.87(12) 5_665 1_565
O7 P1 O4 113.34(11) 5_665 .
O5 P1 O4 113.21(11) 1_565 .
O7 P1 O2 105.24(12) 5_665 .
O5 P1 O2 107.65(11) 1_565 .
O4 P1 O2 102.33(11) . .
O7 P1 Na 43.13(8) 5_665 5_665
O5 P1 Na 149.80(8) 1_565 5_665
O4 P1 Na 96.16(8) . 5_665
O2 P1 Na 70.79(8) . 5_665
O7 P1 Na 83.34(9) 5_665 5_675
O5 P1 Na 43.58(8) 1_565 5_675
O4 P1 Na 156.78(8) . 5_675
O2 P1 Na 87.72(8) . 5_675
Na P1 Na 106.96(5) 5_665 5_675
O7 P1 Cs 139.27(9) 5_665 1_565
O5 P1 Cs 58.01(8) 1_565 1_565
O4 P1 Cs 105.37(8) . 1_565
O2 P1 Cs 52.63(8) . 1_565
Na P1 Cs 122.24(3) 5_665 1_565
Na P1 Cs 64.20(3) 5_675 1_565
O1 P2 O3 114.14(11) . 2_655
O1 P2 O6 114.88(11) . .
O3 P2 O6 111.94(12) 2_655 .
O1 P2 O2 100.57(13) . 5_665
O3 P2 O2 107.15(11) 2_655 5_665
O6 P2 O2 106.93(11) . 5_665
O1 P2 Na 146.86(10) . 4_645
O3 P2 Na 58.51(8) 2_655 4_645
O6 P2 Na 54.40(8) . 4_645
O2 P2 Na 112.51(9) 5_665 4_645
O1 P2 Na 130.41(8) . .
O3 P2 Na 115.43(8) 2_655 .
O6 P2 Na 42.12(8) . .
O2 P2 Na 65.83(8) 5_665 .
Na P2 Na 66.23(3) 4_645 .
O1 P2 Cs 60.67(8) . .
O3 P2 Cs 72.77(8) 2_655 .
O6 P2 Cs 174.98(8) . .
O2 P2 Cs 72.58(8) 5_665 .
Na P2 Cs 130.55(3) 4_645 .
Na P2 Cs 138.21(3) . .
O1 P2 Cs 62.08(8) . 1_565
O3 P2 Cs 163.81(8) 2_655 1_565
O6 P2 Cs 82.81(8) . 1_565
O2 P2 Cs 60.38(7) 5_665 1_565
Na P2 Cs 133.94(3) 4_645 1_565
Na P2 Cs 70.58(3) . 1_565
Cs P2 Cs 92.74(3) . 1_565
P2 O1 Mn2 131.48(15) . .
P2 O1 Cs 94.95(9) . .
Mn2 O1 Cs 105.59(7) . .
P2 O1 Cs 93.72(9) . 1_565
Mn2 O1 Cs 117.86(8) . 1_565
Cs O1 Cs 110.61(7) . 1_565
P1 O2 P2 133.90(13) . 5_665
P1 O2 Cs 126.58(10) . .
P2 O2 Cs 93.49(9) 5_665 .
P1 O2 Cs 105.95(9) . 1_565
P2 O2 Cs 81.31(8) 5_665 1_565
Cs O2 Cs 104.01(6) . 1_565
P2 O3 Mn1 124.53(11) 2_655 .
P2 O3 Na 133.24(12) 2_655 2_645
Mn1 O3 Na 101.74(8) . 2_645
P2 O3 Na 91.72(10) 2_655 3_445
Mn1 O3 Na 94.34(8) . 3_445
Na O3 Na 91.08(7) 2_645 3_445
P2 O3 Cs 82.76(8) 2_655 2_655
Mn1 O3 Cs 95.98(7) . 2_655
Na O3 Cs 86.43(7) 2_645 2_655
Na O3 Cs 169.67(8) 3_445 2_655
P1 O4 Mn1 125.43(10) . .
P1 O4 Mn2 124.88(11) . .
Mn1 O4 Mn2 109.13(7) . .
P1 O5 Mn1 131.12(12) 1_545 .
P1 O5 Na 111.15(10) 1_545 5_665
Mn1 O5 Na 111.65(8) . 5_665
P1 O5 Cs 101.45(9) 1_545 .
Mn1 O5 Cs 107.28(7) . .
Na O5 Cs 81.26(6) 5_665 .
P2 O6 Mn1 138.79(12) . 2_665
P2 O6 Na 95.95(10) . 4_645
Mn1 O6 Na 110.03(9) 2_665 4_645
P2 O6 Na 113.85(11) . .
Mn1 O6 Na 97.86(8) 2_665 .
Na O6 Na 90.35(7) 4_645 .
P2 O6 Cs 73.75(8) . 1_565
Mn1 O6 Cs 88.58(6) 2_665 1_565
Na O6 Cs 159.51(8) 4_645 1_565
Na O6 Cs 78.29(6) . 1_565
P1 O7 Mn1 144.39(13) 5_665 3
P1 O7 Na 111.32(11) 5_665 .
Mn1 O7 Na 103.75(8) 3 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs O1 3.178(2) 5_655
Cs O1 3.178(2) .
Cs O2 3.191(2) .
Cs O2 3.191(2) 5_655
Cs O1 3.245(2) 1_545
Cs O1 3.245(2) 5_665
Cs Cl 3.4854(7) .
Cs Cl 3.4854(7) 5_655
Cs O3 3.497(2) 6
Cs O3 3.497(2) 2_655
Cs O2 3.506(2) 1_545
Cs O2 3.506(2) 5_665
Mn1 O7 2.107(2) 3_445
Mn1 O5 2.141(2) .
Mn1 O6 2.188(2) 2_645
Mn1 O3 2.208(2) .
Mn1 O4 2.2234(19) .
Mn1 Na 3.5400(14) 3_445
Mn1 Na 3.5410(16) 2_645
Mn1 Cs 4.3259(19) 2_655
Mn2 O1 2.016(2) 2_655
Mn2 O1 2.016(2) .
Mn2 O4 2.3250(19) .
Mn2 O4 2.3250(19) 2_655
Mn2 Cl 2.5721(13) .
Mn2 Cl 2.7090(13) 1_565
Mn2 Cs 4.1964(7) 2_655
Na O3 2.355(2) 2_665
Na O7 2.388(2) .
Na O5 2.452(2) 5_665
Na O6 2.496(2) 4_655
Na O6 2.501(2) .
Na O3 2.605(3) 3
Na P2 3.053(2) 4_655
Na P1 3.2535(15) 5_665
Na P1 3.3180(14) 5_675
Na P2 3.4107(14) .
Na Mn1 3.5400(14) 3
Na Mn1 3.5410(16) 2_665
Cl Mn2 2.7090(13) 1_545
Cl Cs 3.4854(7) 2_655
P1 O7 1.5059(19) 5_665
P1 O5 1.5187(19) 1_565
P1 O4 1.5247(19) .
P1 O2 1.611(2) .
P1 Na 3.2535(15) 5_665
P1 Na 3.3180(14) 5_675
P1 Cs 4.2415(9) 1_565
P2 O1 1.505(2) .
P2 O3 1.517(2) 2_655
P2 O6 1.519(2) .
P2 O2 1.617(2) 5_665
P2 Na 3.053(2) 4_645
P2 Cs 3.6641(11) 1_565
O1 Cs 3.245(2) 1_565
O2 P2 1.617(2) 5_665
O2 Cs 3.506(2) 1_565
O3 P2 1.517(2) 2_655
O3 Na 2.355(2) 2_645
O3 Na 2.605(3) 3_445
O3 Cs 3.497(2) 2_655
O5 P1 1.5187(19) 1_545
O5 Na 2.452(2) 5_665
O6 Mn1 2.188(2) 2_665
O6 Na 2.496(2) 4_645
O6 Cs 3.787(2) 1_565
O7 P1 1.5059(19) 5_665
O7 Mn1 2.107(2) 3
