#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:52:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179397 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/94/4329432.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_4329432
loop_
_publ_author_name
'Eric M. Villa'
'Connor J. Marr'
'Laurent J. Jouffret'
'Evgeny V. Alekseev'
'Wulf Depmeier'
'Thomas E. Albrecht-Schmitt'
_publ_section_title
;
 Systematic Evolution from Uranyl(VI) Phosphites to Uranium(IV) Phosphates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6548
_journal_page_last               6558
_journal_paper_doi               10.1021/ic3000735
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         Cs2[U3(PO4)2(HPO3)4]
_chemical_formula_sum            'Cs2 H4 O20 P6 U3'
_chemical_formula_weight         1489.76
_chemical_name_common            'Cesium Uranium(IV) Phosphate-Phosphite'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.964(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   25.7396(8)
_cell_length_b                   5.5906(2)
_cell_length_c                   7.6334(2)
_cell_measurement_reflns_used    1806
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      1.60
_cell_volume                     1085.03(6)
_computing_cell_refinement       'smart saint'
_computing_data_collection       smart
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXCIF-97 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'BRUKER apex II'
_diffrn_measurement_method       '0.5 wide w/ exposures'
_diffrn_radiation_monochromator  'Quazar optics'
_diffrn_radiation_source         'Imus microfocused'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0232
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7626
_diffrn_reflns_theta_full        30.53
_diffrn_reflns_theta_max         30.53
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    26.169
_exptl_absorpt_correction_T_max  0.351
_exptl_absorpt_correction_T_min  0.109
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SHELTXPREP
_exptl_crystal_colour            Blue-Green
_exptl_crystal_density_diffrn    4.560
_exptl_crystal_density_meas      ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.040
_refine_diff_density_max         3.558
_refine_diff_density_min         -1.431
_refine_diff_density_rms         0.256
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     90
_refine_ls_number_reflns         1806
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0228
_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)+(0.0198P)²+19.0570P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0501
_refine_ls_wR_factor_ref         0.0519
_reflns_number_gt                1634
_reflns_number_total             1806
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3000735_si_002_5.cif
_cod_data_source_block           Cs_U(IV)_PO4_PO3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'N/A' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4329432
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
U1 U 0.0000 0.5000 0.5000 0.00760(8) Uani 1 4 d S
U2 U -0.179267(9) 0.0000 0.92476(3) 0.01020(7) Uani 1 2 d S
Cs1 Cs 0.168506(17) 0.5000 0.57831(6) 0.01524(10) Uani 1 2 d S
P1 P -0.25616(7) 0.0000 1.1929(3) 0.0138(3) Uani 1 2 d S
P2 P -0.08531(7) 0.5000 0.0570(2) 0.0109(3) Uani 1 2 d S
H1 H -0.047(3) 0.5000 -0.073(11) 0.013 Uiso 1 2 d S
P3 P -0.06826(7) 0.0000 0.6814(3) 0.0141(3) Uani 1 2 d S
H2 H -0.033(3) 0.0000 0.857(11) 0.017 Uiso 1 2 d S
O1 O -0.0492(2) 0.5000 0.2353(8) 0.0236(13) Uani 1 2 d S
O2 O 0.05323(15) 0.2237(7) 0.4117(5) 0.0210(8) Uani 1 1 d .
O3 O -0.2711(2) 0.0000 0.9887(8) 0.046(2) Uani 1 2 d S
O4 O -0.11833(14) -0.2750(7) 1.0349(5) 0.0205(8) Uani 1 1 d .
O5 O -0.22084(14) -0.2772(7) 0.7317(5) 0.0174(7) Uani 1 1 d .
O6 O -0.19594(18) 0.0000 1.2224(7) 0.0111(9) Uani 1 2 d S
O7 O -0.12561(19) 0.0000 0.7012(7) 0.0182(11) Uani 1 2 d S
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'
H H 0.0000 0.0000 '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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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 U1 O1 179.998(1) . 5_566
O1 U1 O2 90.85(16) . .
O1 U1 O2 89.15(16) 5_566 .
O1 U1 O2 90.85(16) . 6_565
O1 U1 O2 89.15(16) 5_566 6_565
O2 U1 O2 87.3(2) . 6_565
O1 U1 O2 89.15(16) . 2_556
O1 U1 O2 90.85(16) 5_566 2_556
O2 U1 O2 92.7(2) . 2_556
O2 U1 O2 180.00(15) 6_565 2_556
O1 U1 O2 89.15(16) . 5_566
O1 U1 O2 90.85(16) 5_566 5_566
O2 U1 O2 180.00(15) . 5_566
O2 U1 O2 92.7(2) 6_565 5_566
O2 U1 O2 87.3(2) 2_556 5_566
O1 U1 Cs1 123.39(17) . .
O1 U1 Cs1 56.61(17) 5_566 .
O2 U1 Cs1 52.27(10) . .
O2 U1 Cs1 52.27(10) 6_565 .
O2 U1 Cs1 127.73(10) 2_556 .
O2 U1 Cs1 127.73(10) 5_566 .
O1 U1 Cs1 56.61(17) . 5_566
O1 U1 Cs1 123.39(17) 5_566 5_566
O2 U1 Cs1 127.73(10) . 5_566
O2 U1 Cs1 127.73(10) 6_565 5_566
O2 U1 Cs1 52.27(10) 2_556 5_566
O2 U1 Cs1 52.27(10) 5_566 5_566
Cs1 U1 Cs1 180.0 . 5_566
O4 U2 O4 85.6(2) 6 .
O4 U2 O5 90.38(14) 6 6
O4 U2 O5 158.09(13) . 6
O4 U2 O5 158.09(13) 6 .
O4 U2 O5 90.38(14) . .
O5 U2 O5 85.3(2) 6 .
O4 U2 O7 79.54(14) 6 .
O4 U2 O7 79.54(14) . .
O5 U2 O7 78.55(13) 6 .
O5 U2 O7 78.55(13) . .
O4 U2 O6 82.12(13) 6 .
O4 U2 O6 82.12(13) . .
O5 U2 O6 118.69(11) 6 .
O5 U2 O6 118.69(11) . .
O7 U2 O6 154.90(17) . .
O4 U2 O3 123.51(13) 6 .
O4 U2 O3 123.51(13) . .
O5 U2 O3 76.28(13) 6 .
O5 U2 O3 76.28(13) . .
O7 U2 O3 145.52(19) . .
O6 U2 O3 59.58(18) . .
O4 U2 P1 103.56(10) 6 .
O4 U2 P1 103.57(10) . .
O5 U2 P1 98.32(9) 6 .
O5 U2 P1 98.32(9) . .
O7 U2 P1 175.69(14) . .
O6 U2 P1 29.42(11) . .
O3 U2 P1 30.16(14) . .
O4 U2 P1 165.03(10) 6 7_447
O4 U2 P1 79.42(10) . 7_447
O5 U2 P1 103.47(11) 6 7_447
O5 U2 P1 23.97(10) . 7_447
O7 U2 P1 97.47(8) . 7_447
O6 U2 P1 95.84(7) . 7_447
O3 U2 P1 66.43(6) . 7_447
P1 U2 P1 80.30(4) . 7_447
O4 U2 P1 79.42(10) 6 7_457
O4 U2 P1 165.03(11) . 7_457
O5 U2 P1 23.97(10) 6 7_457
O5 U2 P1 103.47(10) . 7_457
O7 U2 P1 97.47(8) . 7_457
O6 U2 P1 95.84(7) . 7_457
O3 U2 P1 66.43(6) . 7_457
P1 U2 P1 80.30(4) . 7_457
P1 U2 P1 115.55(5) 7_447 7_457
O4 U2 Cs1 136.77(10) 6 3_445
O4 U2 Cs1 136.78(10) . 3_445
O5 U2 Cs1 47.53(10) 6 3_445
O5 U2 Cs1 47.53(10) . 3_445
O7 U2 Cs1 97.65(13) . 3_445
O6 U2 Cs1 107.45(11) . 3_445
O3 U2 Cs1 47.87(13) . 3_445
P1 U2 Cs1 78.03(4) . 3_445
P1 U2 Cs1 58.00(3) 7_447 3_445
P1 U2 Cs1 58.00(3) 7_457 3_445
O4 U2 Cs1 48.98(10) 6 5_567
O4 U2 Cs1 98.89(10) . 5_567
O5 U2 Cs1 94.60(10) 6 5_567
O5 U2 Cs1 152.75(9) . 5_567
O7 U2 Cs1 128.23(9) . 5_567
O6 U2 Cs1 39.00(4) . 5_567
O3 U2 Cs1 77.24(11) . 5_567
P1 U2 Cs1 54.65(3) . 5_567
P1 U2 Cs1 133.52(3) 7_447 5_567
P1 U2 Cs1 71.29(3) 7_457 5_567
Cs1 U2 Cs1 115.090(7) 3_445 5_567
O5 Cs1 O5 46.50(14) 5_556 2_566
O5 Cs1 O6 127.68(11) 5_556 5_567
O5 Cs1 O6 85.61(11) 2_566 5_567
O5 Cs1 O6 85.61(11) 5_556 5_557
O5 Cs1 O6 127.68(11) 2_566 5_557
O6 Cs1 O6 121.24(15) 5_567 5_557
O5 Cs1 O3 121.55(11) 5_556 3
O5 Cs1 O3 121.55(11) 2_566 3
O6 Cs1 O3 60.63(8) 5_567 3
O6 Cs1 O3 60.63(8) 5_557 3
O5 Cs1 O5 90.32(7) 5_556 8
O5 Cs1 O5 68.54(11) 2_566 8
O6 Cs1 O5 46.14(10) 5_567 8
O6 Cs1 O5 97.31(10) 5_557 8
O3 Cs1 O5 53.45(10) 3 8
O5 Cs1 O5 68.54(11) 5_556 3
O5 Cs1 O5 90.32(7) 2_566 3
O6 Cs1 O5 97.31(10) 5_567 3
O6 Cs1 O5 46.14(10) 5_557 3
O3 Cs1 O5 53.45(10) 3 3
O5 Cs1 O5 56.15(13) 8 3
O5 Cs1 O2 110.33(10) 5_556 6_565
O5 Cs1 O2 89.42(9) 2_566 6_565
O6 Cs1 O2 84.06(10) 5_567 6_565
O6 Cs1 O2 133.31(10) 5_557 6_565
O3 Cs1 O2 127.78(11) 3 6_565
O5 Cs1 O2 124.99(9) 8 6_565
O5 Cs1 O2 178.58(9) 3 6_565
O5 Cs1 O2 89.42(9) 5_556 .
O5 Cs1 O2 110.33(10) 2_566 .
O6 Cs1 O2 133.31(10) 5_567 .
O6 Cs1 O2 84.06(10) 5_557 .
O3 Cs1 O2 127.78(11) 3 .
O5 Cs1 O2 178.58(9) 8 .
O5 Cs1 O2 124.99(9) 3 .
O2 Cs1 O2 53.86(13) 6_565 .
O5 Cs1 O1 142.26(9) 5_556 5_566
O5 Cs1 O1 142.26(9) 2_566 5_566
O6 Cs1 O1 87.18(9) 5_567 5_566
O6 Cs1 O1 87.18(9) 5_557 5_566
O3 Cs1 O1 85.89(13) 3 5_566
O5 Cs1 O1 127.35(9) 8 5_566
O5 Cs1 O1 127.35(9) 3 5_566
O2 Cs1 O1 52.97(9) 6_565 5_566
O2 Cs1 O1 52.97(9) . 5_566
O5 Cs1 O7 51.23(10) 5_556 5_556
O5 Cs1 O7 89.39(10) 2_566 5_556
O6 Cs1 O7 170.49(10) 5_567 5_556
O6 Cs1 O7 68.13(10) 5_557 5_556
O3 Cs1 O7 128.76(7) 3 5_556
O5 Cs1 O7 138.39(10) 8 5_556
O5 Cs1 O7 90.79(10) 3 5_556
O2 Cs1 O7 87.81(10) 6_565 5_556
O2 Cs1 O7 41.88(10) . 5_556
O1 Cs1 O7 91.88(9) 5_566 5_556
O5 Cs1 O7 89.39(10) 5_556 5_566
O5 Cs1 O7 51.23(10) 2_566 5_566
O6 Cs1 O7 68.13(10) 5_567 5_566
O6 Cs1 O7 170.49(10) 5_557 5_566
O3 Cs1 O7 128.76(7) 3 5_566
O5 Cs1 O7 90.79(10) 8 5_566
O5 Cs1 O7 138.38(10) 3 5_566
O2 Cs1 O7 41.88(10) 6_565 5_566
O2 Cs1 O7 87.81(10) . 5_566
O1 Cs1 O7 91.88(9) 5_566 5_566
O7 Cs1 O7 102.47(14) 5_556 5_566
O5 P1 O5 109.0(3) 4_457 7_447
O5 P1 O6 112.76(19) 4_457 .
O5 P1 O6 112.76(18) 7_447 .
O5 P1 O3 109.21(19) 4_457 .
O5 P1 O3 109.21(19) 7_447 .
O6 P1 O3 103.6(3) . .
O5 P1 U2 125.46(15) 4_457 .
O5 P1 U2 125.46(14) 7_447 .
O6 P1 U2 49.70(19) . .
O3 P1 U2 53.9(2) . .
O5 P1 U2 125.69(16) 4_457 7_447
O5 P1 U2 37.40(14) 7_447 7_447
O6 P1 U2 119.66(5) . 7_447
O3 P1 U2 71.95(10) . 7_447
U2 P1 U2 99.70(4) . 7_447
O5 P1 U2 37.40(14) 4_457 7_457
O5 P1 U2 125.69(16) 7_447 7_457
O6 P1 U2 119.66(5) . 7_457
O3 P1 U2 71.95(10) . 7_457
U2 P1 U2 99.70(4) . 7_457
U2 P1 U2 115.55(5) 7_447 7_457
O5 P1 Cs1 55.22(15) 4_457 3_446
O5 P1 Cs1 55.22(14) 7_447 3_446
O6 P1 Cs1 121.2(2) . 3_446
O3 P1 Cs1 135.2(2) . 3_446
U2 P1 Cs1 170.87(6) . 3_446
U2 P1 Cs1 85.06(3) 7_447 3_446
U2 P1 Cs1 85.06(3) 7_457 3_446
O5 P1 Cs1 58.00(15) 4_457 5_567
O5 P1 Cs1 131.04(17) 7_447 5_567
O6 P1 Cs1 54.77(9) . 5_567
O3 P1 Cs1 119.69(12) . 5_567
U2 P1 Cs1 84.77(3) . 5_567
U2 P1 Cs1 167.20(5) 7_447 5_567
U2 P1 Cs1 75.088(10) 7_457 5_567
Cs1 P1 Cs1 88.99(4) 3_446 5_567
O5 P1 Cs1 131.04(17) 4_457 5_557
O5 P1 Cs1 58.00(15) 7_447 5_557
O6 P1 Cs1 54.77(9) . 5_557
O3 P1 Cs1 119.69(12) . 5_557
U2 P1 Cs1 84.77(3) . 5_557
U2 P1 Cs1 75.088(10) 7_447 5_557
U2 P1 Cs1 167.20(5) 7_457 5_557
Cs1 P1 Cs1 88.99(4) 3_446 5_557
Cs1 P1 Cs1 93.51(4) 5_567 5_557
O4 P2 O4 112.5(3) 6_554 1_564
O4 P2 O1 110.7(2) 6_554 .
O4 P2 O1 110.7(2) 1_564 .
O4 P2 Cs1 73.05(16) 6_554 5_566
O4 P2 Cs1 73.05(16) 1_564 5_566
O1 P2 Cs1 71.2(3) . 5_566
O7 P3 O2 111.85(19) . 5_556
O7 P3 O2 111.85(19) . 2_556
O2 P3 O2 110.9(3) 5_556 2_556
O7 P3 Cs1 59.74(14) . 5_556
O2 P3 Cs1 53.06(15) 5_556 5_556
O2 P3 Cs1 121.49(18) 2_556 5_556
O7 P3 Cs1 59.74(14) . 5_566
O2 P3 Cs1 121.49(18) 5_556 5_566
O2 P3 Cs1 53.06(15) 2_556 5_566
Cs1 P3 Cs1 85.97(4) 5_556 5_566
P2 O1 U1 177.3(4) . .
P2 O1 Cs1 85.0(2) . 5_566
U1 O1 Cs1 92.4(2) . 5_566
P3 O2 U1 157.3(3) 5_556 .
P3 O2 Cs1 106.10(18) 5_556 .
U1 O2 Cs1 96.48(13) . .
P1 O3 U2 95.9(3) . .
P1 O3 Cs1 166.3(3) . 3_445
U2 O3 Cs1 97.82(18) . 3_445
P2 O4 U2 162.1(3) 1_546 .
P2 O4 Cs1 83.44(17) 1_546 5_557
U2 O4 Cs1 102.94(13) . 5_557
P1 O5 U2 118.6(2) 7_447 .
P1 O5 Cs1 101.32(18) 7_447 5_556
U2 O5 Cs1 122.63(13) . 5_556
P1 O5 Cs1 98.80(17) 7_447 3_445
U2 O5 Cs1 101.66(13) . 3_445
Cs1 O5 Cs1 111.46(11) 5_556 3_445
P1 O6 U2 100.9(2) . .
P1 O6 Cs1 102.28(13) . 5_567
U2 O6 Cs1 113.20(9) . 5_567
P1 O6 Cs1 102.28(13) . 5_557
U2 O6 Cs1 113.20(9) . 5_557
Cs1 O6 Cs1 121.23(15) 5_567 5_557
P3 O7 U2 140.0(3) . .
P3 O7 Cs1 98.97(16) . 5_556
U2 O7 Cs1 105.67(11) . 5_556
P3 O7 Cs1 98.97(16) . 5_566
U2 O7 Cs1 105.67(11) . 5_566
Cs1 O7 Cs1 102.47(14) 5_556 5_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O1 2.211(5) .
U1 O1 2.211(5) 5_566
U1 O2 2.237(4) .
U1 O2 2.237(4) 6_565
U1 O2 2.237(4) 2_556
U1 O2 2.237(4) 5_566
U1 Cs1 4.2850(4) .
U1 Cs1 4.2850(4) 5_566
U2 O4 2.263(4) 6
U2 O4 2.263(4) .
U2 O5 2.287(4) 6
U2 O5 2.287(4) .
U2 O7 2.356(5) .
U2 O6 2.377(5) .
U2 O3 2.488(6) .
U2 P1 3.0611(18) .
U2 P1 3.3043(10) 7_447
U2 P1 3.3043(10) 7_457
U2 Cs1 4.3723(5) 3_445
U2 Cs1 4.6853(4) 5_567
Cs1 O5 3.156(4) 5_556
Cs1 O5 3.156(4) 2_566
Cs1 O6 3.208(2) 5_567
Cs1 O6 3.208(2) 5_557
Cs1 O3 3.273(6) 3
Cs1 O5 3.293(4) 8
Cs1 O5 3.293(4) 3
Cs1 O2 3.411(4) 6_565
Cs1 O2 3.411(4) .
Cs1 O1 3.581(6) 5_566
Cs1 O7 3.585(3) 5_556
Cs1 O7 3.585(3) 5_566
P1 O5 1.529(4) 4_457
P1 O5 1.529(4) 7_447
P1 O6 1.531(5) .
P1 O3 1.546(6) .
P1 U2 3.3043(10) 7_447
P1 U2 3.3043(10) 7_457
P1 Cs1 3.7671(19) 3_446
P1 Cs1 3.8373(13) 5_567
P1 Cs1 3.8373(13) 5_557
P2 O4 1.513(4) 6_554
P2 O4 1.513(4) 1_564
P2 O1 1.524(5) .
P2 Cs1 3.7671(18) 5_566
P3 O7 1.507(5) .
P3 O2 1.518(4) 5_556
P3 O2 1.518(4) 2_556
P3 Cs1 4.0998(15) 5_556
P3 Cs1 4.0998(15) 5_566
O1 Cs1 3.581(6) 5_566
O2 P3 1.518(4) 5_556
O3 Cs1 3.273(6) 3_445
O4 P2 1.513(4) 1_546
O4 Cs1 3.627(4) 5_557
O5 P1 1.529(4) 7_447
O5 Cs1 3.156(4) 5_556
O5 Cs1 3.293(4) 3_445
O6 Cs1 3.208(2) 5_567
O6 Cs1 3.208(2) 5_557
O7 Cs1 3.585(3) 5_556
O7 Cs1 3.585(3) 5_566
