#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/13/4001317.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_4001317
loop_
_publ_author_name
'Shvareva, Tatiana Y.'
'Skanthakumar, S.'
'Soderholm, L.'
'Clearfield, Abraham'
'Albrecht-Schmitt, Thomas E.'
_publ_section_title
;
 Cs+-Selective Ion Exchange and Magnetic Ordering in a Three-Dimensional
 Framework Uranyl Vanadium(IV) Phosphate
;
_journal_issue                   2
_journal_name_full               'Chemistry of Materials'
_journal_page_first              132
_journal_paper_doi               10.1021/cm062490l
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'K3.48 O26 P5 U V4'
_chemical_formula_weight         1148.71
_chemical_name_common            'potassium uranyl vanadium phosphate'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.3803(7)
_cell_length_b                   9.1577(8)
_cell_length_c                   17.0898(16)
_cell_measurement_reflns_used    803
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.38
_cell_volume                     1155.04(18)
_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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'BRUKER APEX'
_diffrn_measurement_method       '0.3 wide w/ exposures'
_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  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0317
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            5940
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.38
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         na
_exptl_absorpt_coefficient_mu    9.641
_exptl_absorpt_correction_T_max  0.874
_exptl_absorpt_correction_T_min  0.722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.349
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1082
_exptl_crystal_size_max          0.055
_exptl_crystal_size_mid          0.029
_exptl_crystal_size_min          0.014
_refine_diff_density_max         2.157
_refine_diff_density_min         -0.974
_refine_diff_density_rms         0.173
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     74
_refine_ls_number_reflns         843
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0258
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0339P)²+3.6128P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0617
_refine_ls_wR_factor_ref         0.0622
_reflns_number_gt                802
_reflns_number_total             843
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm062490lsi20061211_021412.cif
_cod_data_source_block           immm
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'nm' 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_original_sg_symbol_H-M      Immm
_cod_database_code               4001317
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-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
U1 U 0.5000 -0.5000 -0.5000 0.00815(13) Uani 1 8 d S
V1 V 0.70563(12) -0.5000 -0.23506(5) 0.0096(2) Uani 1 2 d S
P1 P 0.5000 -0.24226(15) -0.33114(8) 0.0087(3) Uani 1 2 d S
P2 P 0.5000 -0.3921(8) -0.0648(4) 0.0221(14) Uani 0.25 2 d SP
K1 K 0.5000 0.0000 -0.5000 0.106(3) Uani 0.98(2) 8 d SP
K2 K 0.5000 -0.1948(4) -0.08854(15) 0.0449(10) Uani 0.624(7) 2 d SP
O1 O 0.7420(8) -0.5000 -0.5000 0.0157(12) Uani 1 4 d S
O2 O 0.5000 -0.3190(5) -0.4101(2) 0.0171(9) Uani 1 2 d S
O3 O 0.5000 -0.3570(4) -0.2631(2) 0.0128(8) Uani 1 2 d S
O4 O 0.6722(4) -0.1517(3) -0.32602(17) 0.0161(6) Uani 1 1 d .
O5 O 0.8075(6) -0.5000 -0.3171(2) 0.0179(9) Uani 1 2 d S
O6 O 0.5000 -0.5000 -0.1342(4) 0.0213(14) Uani 1 4 d S
O7 O 0.642(3) -0.428(2) 0.0000 0.046(6) Uani 0.25 2 d SP
O8 O 0.5000 -0.1948(4) -0.08854(15) 0.0449(19) Uani 0.25 2 d SP
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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 180.000(1) 9_644 .
O1 U1 O2 90.000(1) 9_644 9_644
O1 U1 O2 90.000(1) . 9_644
O1 U1 O2 90.0 9_644 .
O1 U1 O2 90.000(1) . .
O2 U1 O2 180.0 9_644 .
O1 U1 O2 90.000(1) 9_644 2_645
O1 U1 O2 90.000(1) . 2_645
O2 U1 O2 85.7(2) 9_644 2_645
O2 U1 O2 94.3(2) . 2_645
O1 U1 O2 90.000(1) 9_644 10_554
O1 U1 O2 90.000(1) . 10_554
O2 U1 O2 94.3(2) 9_644 10_554
O2 U1 O2 85.7(2) . 10_554
O2 U1 O2 180.0 2_645 10_554
O1 U1 K2 147.63(3) 9_644 13_644
O1 U1 K2 32.37(3) . 13_644
O2 U1 K2 122.33(3) 9_644 13_644
O2 U1 K2 57.67(3) . 13_644
O2 U1 K2 93.66(7) 2_645 13_644
O2 U1 K2 86.34(7) 10_554 13_644
O1 U1 K2 32.37(3) 9_644 5_444
O1 U1 K2 147.63(3) . 5_444
O2 U1 K2 57.67(3) 9_644 5_444
O2 U1 K2 122.33(3) . 5_444
O2 U1 K2 86.34(7) 2_645 5_444
O2 U1 K2 93.66(7) 10_554 5_444
K2 U1 K2 180.0 13_644 5_444
O1 U1 K2 147.63(3) 9_644 6_644
O1 U1 K2 32.37(3) . 6_644
O2 U1 K2 93.66(7) 9_644 6_644
O2 U1 K2 86.34(7) . 6_644
O2 U1 K2 122.33(3) 2_645 6_644
O2 U1 K2 57.67(3) 10_554 6_644
K2 U1 K2 40.53(6) 13_644 6_644
K2 U1 K2 139.47(6) 5_444 6_644
O1 U1 K2 32.37(3) 9_644 14_444
O1 U1 K2 147.63(3) . 14_444
O2 U1 K2 86.34(7) 9_644 14_444
O2 U1 K2 93.66(7) . 14_444
O2 U1 K2 57.67(3) 2_645 14_444
O2 U1 K2 122.33(3) 10_554 14_444
K2 U1 K2 139.47(6) 13_644 14_444
K2 U1 K2 40.53(6) 5_444 14_444
K2 U1 K2 180.0 6_644 14_444
O1 U1 K2 32.37(3) 9_644 6_544
O1 U1 K2 147.63(3) . 6_544
O2 U1 K2 93.66(7) 9_644 6_544
O2 U1 K2 86.34(7) . 6_544
O2 U1 K2 122.33(3) 2_645 6_544
O2 U1 K2 57.67(3) 10_554 6_544
K2 U1 K2 131.81(8) 13_644 6_544
K2 U1 K2 48.19(8) 5_444 6_544
K2 U1 K2 115.26(7) 6_644 6_544
K2 U1 K2 64.74(7) 14_444 6_544
O1 U1 K2 147.63(3) 9_644 14_544
O1 U1 K2 32.37(3) . 14_544
O2 U1 K2 86.34(7) 9_644 14_544
O2 U1 K2 93.66(7) . 14_544
O2 U1 K2 57.67(3) 2_645 14_544
O2 U1 K2 122.33(3) 10_554 14_544
K2 U1 K2 48.19(8) 13_644 14_544
K2 U1 K2 131.81(8) 5_444 14_544
K2 U1 K2 64.74(7) 6_644 14_544
K2 U1 K2 115.26(7) 14_444 14_544
K2 U1 K2 180.0 6_544 14_544
O5 V1 O4 104.61(14) . 13_644
O5 V1 O4 104.61(14) . 7_644
O4 V1 O4 90.39(18) 13_644 7_644
O5 V1 O3 98.23(16) . 2_645
O4 V1 O3 156.06(14) 13_644 2_645
O4 V1 O3 90.71(14) 7_644 2_645
O5 V1 O3 98.23(16) . .
O4 V1 O3 90.71(14) 13_644 .
O4 V1 O3 156.06(14) 7_644 .
O3 V1 O3 78.90(18) 2_645 .
O5 V1 O6 166.84(19) . .
O4 V1 O6 84.50(12) 13_644 .
O4 V1 O6 84.50(12) 7_644 .
O3 V1 O6 71.81(13) 2_645 .
O3 V1 O6 71.81(13) . .
O5 V1 V1 118.20(15) . 2_645
O4 V1 V1 117.43(9) 13_644 2_645
O4 V1 V1 117.43(9) 7_644 2_645
O3 V1 V1 42.58(8) 2_645 2_645
O3 V1 V1 42.58(8) . 2_645
O6 V1 V1 48.64(11) . 2_645
O5 V1 K2 136.25(4) . .
O4 V1 K2 49.68(9) 13_644 .
O4 V1 K2 109.44(10) 7_644 .
O3 V1 K2 107.84(9) 2_645 .
O3 V1 K2 55.17(12) . .
O6 V1 K2 44.60(4) . .
V1 V1 K2 67.98(2) 2_645 .
O5 V1 K2 136.25(4) . 2_645
O4 V1 K2 109.44(10) 13_644 2_645
O4 V1 K2 49.68(9) 7_644 2_645
O3 V1 K2 55.17(12) 2_645 2_645
O3 V1 K2 107.84(9) . 2_645
O6 V1 K2 44.60(4) . 2_645
V1 V1 K2 67.98(2) 2_645 2_645
K2 V1 K2 87.34(8) . 2_645
O4 P1 O4 113.4(2) . 12_655
O4 P1 O2 107.65(15) . .
O4 P1 O2 107.65(15) 12_655 .
O4 P1 O3 108.85(14) . .
O4 P1 O3 108.85(14) 12_655 .
O2 P1 O3 110.4(2) . .
O4 P1 K1 73.32(12) . .
O4 P1 K1 73.32(12) 12_655 .
O2 P1 K1 65.08(17) . .
O3 P1 K1 175.46(17) . .
O6 P2 O7 114.1(7) . .
O6 P2 O7 114.1(7) . 3_655
O7 P2 O7 84.5(15) . 3_655
O6 P2 K2 117.2(4) . .
O7 P2 K2 111.2(10) . .
O7 P2 K2 111.2(10) 3_655 .
O6 P2 P2 50.2(3) . 2_645
O7 P2 P2 77.7(9) . 2_645
O7 P2 P2 77.7(9) 3_655 2_645
K2 P2 P2 167.4(2) . 2_645
O6 P2 P2 140.2(3) . 10
O7 P2 P2 44.9(6) . 10
O7 P2 P2 44.9(6) 3_655 10
K2 P2 P2 102.6(2) . 10
P2 P2 P2 90.0 2_645 10
O6 P2 O7 84.9(4) . 9_645
O7 P2 O7 79.0(13) . 9_645
O7 P2 O7 34.8(12) 3_655 9_645
K2 P2 O7 145.4(5) . 9_645
P2 P2 O7 42.9(4) 2_645 9_645
P2 P2 O7 60.4(4) 10 9_645
O6 P2 O7 84.9(4) . 11_545
O7 P2 O7 34.8(12) . 11_545
O7 P2 O7 79.0(13) 3_655 11_545
K2 P2 O7 145.4(5) . 11_545
P2 P2 O7 42.9(4) 2_645 11_545
P2 P2 O7 60.4(4) 10 11_545
O7 P2 O7 55.9(11) 9_645 11_545
O6 P2 K2 174.8(4) . 10
O7 P2 K2 62.4(6) . 10
O7 P2 K2 62.4(6) 3_655 10
K2 P2 K2 68.1(2) . 10
P2 P2 K2 124.58(14) 2_645 10
P2 P2 K2 34.58(14) 10 10
O7 P2 K2 90.5(4) 9_645 10
O7 P2 K2 90.5(4) 11_545 10
O6 P2 K2 44.1(3) . 2_645
O7 P2 K2 82.2(9) . 2_645
O7 P2 K2 82.2(9) 3_655 2_645
K2 P2 K2 161.2(3) . 2_645
P2 P2 K2 6.11(11) 2_645 2_645
P2 P2 K2 96.11(11) 10 2_645
O7 P2 K2 47.5(4) 9_645 2_645
O7 P2 K2 47.5(4) 11_545 2_645
K2 P2 K2 130.7(2) 10 2_645
O7 K1 O7 180.000(2) 15_444 7_654
O7 K1 O7 152.1(10) 15_444 13_644
O7 K1 O7 27.9(10) 7_654 13_644
O7 K1 O7 27.9(10) 15_444 5_454
O7 K1 O7 152.1(10) 7_654 5_454
O7 K1 O7 180.000(3) 13_644 5_454
O7 K1 O2 77.7(4) 15_444 10_554
O7 K1 O2 102.3(4) 7_654 10_554
O7 K1 O2 77.7(5) 13_644 10_554
O7 K1 O2 102.3(4) 5_454 10_554
O7 K1 O2 102.3(4) 15_444 2_655
O7 K1 O2 77.7(4) 7_654 2_655
O7 K1 O2 102.3(5) 13_644 2_655
O7 K1 O2 77.7(4) 5_454 2_655
O2 K1 O2 180.0 10_554 2_655
O7 K1 O2 77.7(4) 15_444 .
O7 K1 O2 102.3(4) 7_654 .
O7 K1 O2 77.7(5) 13_644 .
O7 K1 O2 102.3(4) 5_454 .
O2 K1 O2 55.50(14) 10_554 .
O2 K1 O2 124.50(14) 2_655 .
O7 K1 O2 102.3(4) 15_444 9_654
O7 K1 O2 77.7(4) 7_654 9_654
O7 K1 O2 102.3(5) 13_644 9_654
O7 K1 O2 77.7(4) 5_454 9_654
O2 K1 O2 124.50(14) 10_554 9_654
O2 K1 O2 55.50(14) 2_655 9_654
O2 K1 O2 180.0 . 9_654
O7 K1 P1 98.5(3) 15_444 2_655
O7 K1 P1 81.5(3) 7_654 2_655
O7 K1 P1 98.5(3) 13_644 2_655
O7 K1 P1 81.5(3) 5_454 2_655
O2 K1 P1 155.30(7) 10_554 2_655
O2 K1 P1 24.70(7) 2_655 2_655
O2 K1 P1 99.80(7) . 2_655
O2 K1 P1 80.20(7) 9_654 2_655
O7 K1 P1 81.5(3) 15_444 10_554
O7 K1 P1 98.5(3) 7_654 10_554
O7 K1 P1 81.5(3) 13_644 10_554
O7 K1 P1 98.5(3) 5_454 10_554
O2 K1 P1 24.70(7) 10_554 10_554
O2 K1 P1 155.30(7) 2_655 10_554
O2 K1 P1 80.20(7) . 10_554
O2 K1 P1 99.80(7) 9_654 10_554
P1 K1 P1 180.0 2_655 10_554
O7 K1 P1 81.5(3) 15_444 .
O7 K1 P1 98.5(3) 7_654 .
O7 K1 P1 81.5(3) 13_644 .
O7 K1 P1 98.5(3) 5_454 .
O2 K1 P1 80.20(7) 10_554 .
O2 K1 P1 99.80(7) 2_655 .
O2 K1 P1 24.70(7) . .
O2 K1 P1 155.30(7) 9_654 .
P1 K1 P1 75.10(4) 2_655 .
P1 K1 P1 104.90(4) 10_554 .
O7 K1 P1 98.5(3) 15_444 9_654
O7 K1 P1 81.5(3) 7_654 9_654
O7 K1 P1 98.5(3) 13_644 9_654
O7 K1 P1 81.5(3) 5_454 9_654
O2 K1 P1 99.80(7) 10_554 9_654
O2 K1 P1 80.20(7) 2_655 9_654
O2 K1 P1 155.30(7) . 9_654
O2 K1 P1 24.70(7) 9_654 9_654
P1 K1 P1 104.90(4) 2_655 9_654
P1 K1 P1 75.10(4) 10_554 9_654
P1 K1 P1 180.0 . 9_654
P2 K2 O5 138.54(18) . 13_644
P2 K2 O5 138.54(18) . 14_454
O5 K2 O5 61.16(17) 13_644 14_454
P2 K2 O7 31.1(5) . 3_655
O5 K2 O7 169.3(5) 13_644 3_655
O5 K2 O7 127.1(5) 14_454 3_655
P2 K2 O7 31.1(5) . .
O5 K2 O7 127.1(5) 13_644 .
O5 K2 O7 169.3(5) 14_454 .
O7 K2 O7 43.7(10) 3_655 .
P2 K2 O6 28.2(2) . .
O5 K2 O6 117.37(14) 13_644 .
O5 K2 O6 117.37(14) 14_454 .
O7 K2 O6 54.1(4) 3_655 .
O7 K2 O6 54.1(4) . .
P2 K2 O1 117.86(18) . 13_644
O5 K2 O1 65.85(10) 13_644 13_644
O5 K2 O1 103.49(12) 14_454 13_644
O7 K2 O1 114.5(3) 3_655 13_644
O7 K2 O1 86.8(5) . 13_644
O6 K2 O1 134.79(11) . 13_644
P2 K2 O1 117.86(18) . 5_455
O5 K2 O1 103.49(12) 13_644 5_455
O5 K2 O1 65.85(10) 14_454 5_455
O7 K2 O1 86.8(5) 3_655 5_455
O7 K2 O1 114.5(3) . 5_455
O6 K2 O1 134.79(11) . 5_455
O1 K2 O1 78.3(2) 13_644 5_455
P2 K2 O8 77.4(2) . 10
O5 K2 O8 125.27(9) 13_644 10
O5 K2 O8 125.27(9) 14_454 10
O7 K2 O8 57.6(2) 3_655 10
O7 K2 O8 57.6(2) . 10
O6 K2 O8 105.60(13) . 10
O1 K2 O8 59.89(6) 13_644 10
O1 K2 O8 59.89(6) 5_455 10
P2 K2 K2 77.4(2) . 10
O5 K2 K2 125.27(9) 13_644 10
O5 K2 K2 125.27(9) 14_454 10
O7 K2 K2 57.6(2) 3_655 10
O7 K2 K2 57.6(2) . 10
O6 K2 K2 105.60(13) . 10
O1 K2 K2 59.89(6) 13_644 10
O1 K2 K2 59.89(6) 5_455 10
O8 K2 K2 0.00(13) 10 10
P2 K2 O4 70.52(16) . 8_444
O5 K2 O4 114.03(13) 13_644 8_444
O5 K2 O4 68.12(9) 14_454 8_444
O7 K2 O4 68.0(3) 3_655 8_444
O7 K2 O4 101.3(5) . 8_444
O6 K2 O4 56.40(9) . 8_444
O1 K2 O4 168.36(14) 13_644 8_444
O1 K2 O4 90.66(11) 5_455 8_444
O8 K2 O4 117.55(7) 10 8_444
K2 K2 O4 117.55(7) 10 8_444
P2 K2 O4 70.52(16) . 13_644
O5 K2 O4 68.12(9) 13_644 13_644
O5 K2 O4 114.03(13) 14_454 13_644
O7 K2 O4 101.3(5) 3_655 13_644
O7 K2 O4 68.0(3) . 13_644
O6 K2 O4 56.40(9) . 13_644
O1 K2 O4 90.66(11) 13_644 13_644
O1 K2 O4 168.36(14) 5_455 13_644
O8 K2 O4 117.55(7) 10 13_644
K2 K2 O4 117.55(7) 10 13_644
O4 K2 O4 100.09(13) 8_444 13_644
U1 O1 K2 129.15(10) . 13_644
U1 O1 K2 129.15(10) . 6_644
K2 O1 K2 60.22(13) 13_644 6_644
U1 O1 K2 129.15(10) . 14_544
K2 O1 K2 72.51(15) 13_644 14_544
K2 O1 K2 101.7(2) 6_644 14_544
U1 O1 K2 129.15(10) . 5_544
K2 O1 K2 101.7(2) 13_644 5_544
K2 O1 K2 72.51(15) 6_644 5_544
K2 O1 K2 60.22(13) 14_544 5_544
P1 O2 U1 160.4(3) . .
P1 O2 K1 90.22(19) . .
U1 O2 K1 109.40(14) . .
P1 O3 V1 126.75(12) . 2_645
P1 O3 V1 126.75(12) . .
V1 O3 V1 94.85(17) 2_645 .
P1 O3 K2 111.4(2) . .
V1 O3 K2 94.32(13) 2_645 .
V1 O3 K2 94.32(13) . .
P1 O4 V1 143.4(2) . 13_644
P1 O4 K2 111.78(16) . 13_644
V1 O4 K2 102.10(12) 13_644 13_644
V1 O5 K2 138.53(10) . 14_544
V1 O5 K2 138.53(10) . 13_644
K2 O5 K2 79.37(16) 14_544 13_644
P2 O6 P2 79.6(6) . 2_645
P2 O6 V1 125.21(16) . 2_645
P2 O6 V1 125.21(16) 2_645 2_645
P2 O6 V1 125.21(16) . .
P2 O6 V1 125.21(16) 2_645 .
V1 O6 V1 82.7(2) 2_645 .
P2 O6 K2 34.6(3) . .
P2 O6 K2 114.2(4) 2_645 .
V1 O6 K2 101.64(8) 2_645 .
V1 O6 K2 101.64(8) . .
P2 O6 K2 114.2(4) . 2_645
P2 O6 K2 34.6(3) 2_645 2_645
V1 O6 K2 101.64(8) 2_645 2_645
V1 O6 K2 101.64(8) . 2_645
K2 O6 K2 148.8(3) . 2_645
O7 O7 P2 102.3(9) 11_545 .
O7 O7 P2 102.3(9) 11_545 10
P2 O7 P2 90.3(12) . 10
O7 O7 P2 42.9(4) 11_545 2_645
P2 O7 P2 59.4(8) . 2_645
P2 O7 P2 101.0(13) 10 2_645
O7 O7 P2 42.9(4) 11_545 9_645
P2 O7 P2 101.0(13) . 9_645
P2 O7 P2 59.4(8) 10 9_645
P2 O7 P2 59.2(7) 2_645 9_645
O7 O7 K1 76.0(5) 11_545 5_545
P2 O7 K1 134.7(6) . 5_545
P2 O7 K1 134.7(6) 10 5_545
P2 O7 K1 106.1(7) 2_645 5_545
P2 O7 K1 106.1(7) 9_645 5_545
O7 O7 K2 139.3(4) 11_545 10
P2 O7 K2 88.2(8) . 10
P2 O7 K2 37.7(6) 10 10
P2 O7 K2 130.2(10) 2_645 10
P2 O7 K2 96.7(5) 9_645 10
K1 O7 K2 123.0(8) 5_545 10
O7 O7 K2 139.3(4) 11_545 .
P2 O7 K2 37.7(6) . .
P2 O7 K2 88.2(8) 10 .
P2 O7 K2 96.7(5) 2_645 .
P2 O7 K2 130.2(10) 9_645 .
K1 O7 K2 123.0(8) 5_545 .
K2 O7 K2 64.8(4) 10 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O1 1.786(6) 9_644
U1 O1 1.786(6) .
U1 O2 2.260(4) 9_644
U1 O2 2.260(4) .
U1 O2 2.260(4) 2_645
U1 O2 2.260(4) 10_554
U1 K2 4.3691(17) 13_644
U1 K2 4.3691(17) 5_444
U1 K2 4.3691(17) 6_644
U1 K2 4.3691(17) 14_444
U1 K2 4.3691(17) 6_544
U1 K2 4.3691(17) 14_544
V1 O5 1.590(4) .
V1 O4 1.958(3) 13_644
V1 O4 1.958(3) 7_644
V1 O3 2.061(3) 2_645
V1 O3 2.061(3) .
V1 O6 2.297(5) .
V1 V1 3.0352(18) 2_645
V1 K2 4.048(3) .
V1 K2 4.048(3) 2_645
P1 O4 1.520(3) .
P1 O4 1.520(3) 12_655
P1 O2 1.521(4) .
P1 O3 1.568(4) .
P1 K1 3.6400(14) .
P2 O6 1.543(8) .
P2 O7 1.563(16) .
P2 O7 1.563(16) 3_655
P2 K2 1.852(8) .
P2 P2 1.976(14) 2_645
P2 P2 2.216(14) 10
P2 O7 2.24(2) 9_645
P2 O7 2.24(2) 11_545
P2 K2 3.184(7) 10
P2 K2 3.805(8) 2_645
K1 O7 2.72(2) 15_444
K1 O7 2.72(2) 7_654
K1 O7 2.72(2) 13_644
K1 O7 2.72(2) 5_454
K1 O2 3.301(4) 10_554
K1 O2 3.301(4) 2_655
K1 O2 3.301(4) .
K1 O2 3.301(4) 9_654
K1 P1 3.6400(14) 2_655
K1 P1 3.6400(14) 10_554
K1 P1 3.6400(14) 9_654
K2 O5 2.793(4) 13_644
K2 O5 2.793(4) 14_454
K2 O7 2.823(17) 3_655
K2 O7 2.823(17) .
K2 O6 2.902(4) .
K2 O1 3.016(5) 13_644
K2 O1 3.016(5) 5_455
K2 O8 3.026(5) 10
K2 K2 3.026(5) 10
K2 O4 3.156(4) 8_444
K2 O4 3.156(4) 13_644
O1 K2 3.016(5) 13_644
O1 K2 3.016(5) 6_644
O1 K2 3.016(5) 14_544
O1 K2 3.016(5) 5_544
O3 V1 2.061(3) 2_645
O4 V1 1.958(3) 13_644
O4 K2 3.156(4) 13_644
O5 K2 2.793(4) 14_544
O5 K2 2.793(4) 13_644
O6 P2 1.543(8) 2_645
O6 V1 2.297(5) 2_645
O6 K2 2.902(4) 2_645
O7 O7 1.31(4) 11_545
O7 P2 1.563(16) 10
O7 P2 2.24(2) 2_645
O7 P2 2.24(2) 9_645
O7 K1 2.72(2) 5_545
O7 K2 2.823(17) 10
