#------------------------------------------------------------------------------
#$Date: 2022-02-07 10:53:03 +0200 (Mon, 07 Feb 2022) $
#$Revision: 272829 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/63/1566326.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_1566326
loop_
_publ_author_name
'Vladislav V. Gurzhiy'
'Olga V. Tyumentseva'
'Ilya V. Kornyakov'
'Sergey V. Krivovichev'
'Ivan G. Tananaev'
_publ_section_title
;
 The role of potassium atoms in the formation of uranyl selenates: the
 crystal structure and synthesis of two novel compounds
;
_journal_name_full               'Journal of GeoSciences'
_journal_page_first              123
_journal_page_last               133
_journal_paper_doi               10.3190/jgeosci.165
_journal_volume                  59
_journal_year                    2014
_chemical_formula_sum            'K1.5 O21 Se3 U2'
_chemical_formula_weight         1107.59
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 109.187(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.001(3)
_cell_length_b                   13.613(3)
_cell_length_c                   13.753(3)
_cell_measurement_reflns_used    8236
_cell_measurement_temperature    210(2)
_cell_measurement_theta_max      35.92
_cell_measurement_theta_min      2.17
_cell_volume                     2122.0(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      210(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0561
_diffrn_reflns_av_sigmaI/netI    0.0467
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28491
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    20.770
_exptl_absorpt_correction_T_max  0.5783
_exptl_absorpt_correction_T_min  0.2121
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2007'
_exptl_crystal_colour            yellow-green
_exptl_crystal_density_diffrn    3.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1930
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.717
_refine_diff_density_min         -1.399
_refine_diff_density_rms         0.261
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    .
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         6432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0289
_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)+(0.0421P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.0867
_reflns_number_gt                4865
_reflns_number_total             6432
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jgeosci.165_gurzhiy_Comp1_last.cif
_cod_data_source_block           7f2_1_0m
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_original_formula_sum        'K1.50 O21 Se3 U2'
_cod_database_code               1566326
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.22847(2) 0.48852(2) 0.433390(17) 0.01926(7) Uani 1 1 d . . .
U2 U 0.22135(2) 0.465616(19) -0.068123(17) 0.01935(7) Uani 1 1 d . . .
Se1 Se 0.09854(6) 0.49158(5) 0.14632(5) 0.02124(14) Uani 1 1 d . . .
Se2 Se -0.10023(6) 0.50992(5) 0.35368(5) 0.01924(13) Uani 1 1 d . . .
Se3 Se 0.49279(6) 0.51073(6) 0.34348(5) 0.02508(16) Uani 1 1 d . . .
K1 K 0.0427(2) 0.7500 0.26609(17) 0.0307(5) Uani 1 2 d S . .
K2 K 0.1481(3) 0.7500 0.0149(2) 0.0584(8) Uani 1 2 d S . .
K3 K 0.0683(6) 0.2500 0.3063(4) 0.0469(13) Uani 0.50 2 d SP . .
K4 K 0.4949(8) 0.7500 0.5156(5) 0.074(3) Uani 0.50 2 d SP . .
O1 O 0.2501(4) 0.3634(4) 0.4676(4) 0.0298(11) Uani 1 1 d . . .
O2 O 0.2028(4) 0.6134(4) 0.3978(4) 0.0290(11) Uani 1 1 d . . .
O3 O 0.1974(4) 0.5260(4) 0.5930(3) 0.0281(12) Uani 1 1 d . . .
O4 O 0.3649(4) 0.4679(5) 0.3431(4) 0.0423(16) Uani 1 1 d . . .
O5 O 0.0250(4) 0.4519(4) 0.4117(3) 0.0250(10) Uani 1 1 d . . .
O6 O 0.1262(4) 0.4404(4) 0.2598(3) 0.0282(11) Uani 1 1 d . . .
O7 O 0.2891(4) 0.5800(4) -0.0255(4) 0.0306(12) Uani 1 1 d . . .
O8 O 0.1533(5) 0.3530(4) -0.1126(4) 0.0322(12) Uani 1 1 d . . .
O9 O 0.3600(5) 0.4140(4) -0.1532(4) 0.0391(14) Uani 1 1 d . . .
O10 O 0.3889(5) 0.3854(5) 0.0587(4) 0.0413(14) Uani 1 1 d . . .
O11 O 0.1860(4) 0.4372(4) 0.0917(3) 0.0290(12) Uani 1 1 d . . .
O12 O 0.1159(5) 0.6093(4) 0.1523(4) 0.0344(12) Uani 1 1 d . . .
O13 O -0.0387(4) 0.4580(4) 0.0821(3) 0.0246(10) Uani 1 1 d . . .
O14 O -0.0837(5) 0.6277(4) 0.3550(4) 0.0321(12) Uani 1 1 d . . .
O15 O -0.1506(4) 0.4661(4) 0.2347(3) 0.0279(11) Uani 1 1 d . . .
O16 O 0.5907(4) 0.4616(4) 0.4463(3) 0.0271(11) Uani 1 1 d . . .
O17 O 0.4958(6) 0.6291(5) 0.3469(5) 0.0508(16) Uani 1 1 d . . .
O18 O 0.5176(5) 0.4676(5) 0.2417(4) 0.0467(16) Uani 1 1 d . . .
O19 O 0.4671(8) 0.7500 0.9787(7) 0.050(2) Uani 1 2 d S . .
O20 O 0.3121(8) 0.2500 0.7215(7) 0.052(2) Uani 1 2 d S . .
O21 O 0.3877(9) 0.7500 0.1572(7) 0.059(3) Uani 1 2 d S . .
O22 O -0.0324(12) 0.2500 0.4644(7) 0.086(3) Uani 1 2 d S . .
O23 O 0.300(3) 0.7500 0.6060(15) 0.086(3) Uani 0.50 2 d SP . .
O24 O 0.089(3) 0.2500 0.0901(15) 0.086(3) Uani 0.50 2 d SP . .
O25 O 0.342(3) 0.2500 0.2732(15) 0.086(3) Uani 0.50 2 d SP . .
O26 O 0.165(3) 0.7500 -0.1795(15) 0.086(3) Uani 0.50 2 d SP . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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 O2 178.5(2) . .
O1 U1 O16 94.0(2) . 3_666
O2 U1 O16 87.4(2) . 3_666
O1 U1 O4 87.7(2) . .
O2 U1 O4 93.2(2) . .
O16 U1 O4 76.54(17) 3_666 .
O1 U1 O6 89.1(2) . .
O2 U1 O6 90.1(2) . .
O16 U1 O6 146.42(15) 3_666 .
O4 U1 O6 70.19(17) . .
O1 U1 O3 90.8(2) . .
O2 U1 O3 89.1(2) . .
O16 U1 O3 71.36(15) 3_666 .
O4 U1 O3 147.67(17) . .
O6 U1 O3 142.10(16) . .
O1 U1 O5 83.5(2) . .
O2 U1 O5 95.0(2) . .
O16 U1 O5 143.87(15) 3_666 .
O4 U1 O5 139.00(17) . .
O6 U1 O5 69.71(15) . .
O3 U1 O5 72.64(15) . .
O1 U1 K3 47.17(18) . .
O2 U1 K3 131.59(18) . .
O16 U1 K3 139.68(15) 3_666 .
O4 U1 K3 89.42(17) . .
O6 U1 K3 46.02(15) . .
O3 U1 K3 112.75(15) . .
O5 U1 K3 55.99(15) . .
O1 U1 K1 157.06(17) . .
O2 U1 K1 21.55(17) . .
O16 U1 K1 108.91(13) 3_666 .
O4 U1 K1 98.02(16) . .
O6 U1 K1 72.24(13) . .
O3 U1 K1 95.83(13) . .
O5 U1 K1 77.61(12) . .
K3 U1 K1 110.39(8) . .
O1 U1 K4 39.70(18) . 3_666
O2 U1 K4 141.63(18) . 3_666
O16 U1 K4 68.82(16) 3_666 3_666
O4 U1 K4 53.14(17) . 3_666
O6 U1 K4 93.91(15) . 3_666
O3 U1 K4 109.69(15) . 3_666
O5 U1 K4 122.10(15) . 3_666
K3 U1 K4 72.51(12) . 3_666
K1 U1 K4 151.14(7) . 3_666
O8 U2 O7 179.0(2) . .
O8 U2 O15 91.6(2) . 3_565
O7 U2 O15 87.4(2) . 3_565
O8 U2 O13 92.5(2) . 3_565
O7 U2 O13 87.3(2) . 3_565
O15 U2 O13 73.79(16) 3_565 3_565
O8 U2 O11 88.6(2) . .
O7 U2 O11 92.2(2) . .
O15 U2 O11 146.83(16) 3_565 .
O13 U2 O11 73.06(16) 3_565 .
O8 U2 O9 83.9(2) . .
O7 U2 O9 95.8(2) . .
O15 U2 O9 74.39(18) 3_565 .
O13 U2 O9 147.85(17) 3_565 .
O11 U2 O9 138.45(18) . .
O8 U2 O10 92.2(2) . .
O7 U2 O10 88.6(2) . .
O15 U2 O10 145.00(17) 3_565 .
O13 U2 O10 140.69(16) 3_565 .
O11 U2 O10 68.06(17) . .
O9 U2 O10 71.46(18) . .
O8 U2 K2 141.73(18) . .
O7 U2 K2 38.11(17) . .
O15 U2 K2 81.97(13) 3_565 .
O13 U2 K2 49.46(13) 3_565 .
O11 U2 K2 77.55(14) . .
O9 U2 K2 129.29(15) . .
O10 U2 K2 114.42(15) . .
O8 U2 K1 20.87(18) . 3_565
O7 U2 K1 158.25(17) . 3_565
O15 U2 K1 73.32(13) 3_565 3_565
O13 U2 K1 77.88(12) 3_565 3_565
O11 U2 K1 98.46(13) . 3_565
O9 U2 K1 88.71(15) . 3_565
O10 U2 K1 112.93(15) . 3_565
K2 U2 K1 126.40(6) . 3_565
O12 Se1 O6 113.0(3) . .
O12 Se1 O11 112.2(3) . .
O6 Se1 O11 106.4(2) . .
O12 Se1 O13 113.0(3) . .
O6 Se1 O13 104.2(2) . .
O11 Se1 O13 107.6(2) . .
O14 Se2 O3 113.2(3) . 3_566
O14 Se2 O5 112.3(3) . .
O3 Se2 O5 108.0(2) 3_566 .
O14 Se2 O15 111.8(3) . .
O3 Se2 O15 104.6(2) 3_566 .
O5 Se2 O15 106.5(2) . .
O17 Se3 O18 112.1(3) . .
O17 Se3 O4 111.6(3) . .
O18 Se3 O4 107.6(3) . .
O17 Se3 O16 112.1(3) . .
O18 Se3 O16 108.0(3) . .
O4 Se3 O16 105.1(3) . .
O14 K1 O14 73.3(2) . 4_575
O14 K1 O12 98.79(15) . .
O14 K1 O12 166.30(18) 4_575 .
O14 K1 O12 166.30(18) . 4_575
O14 K1 O12 98.79(15) 4_575 4_575
O12 K1 O12 86.7(2) . 4_575
O14 K1 O2 117.41(16) . 4_575
O14 K1 O2 71.50(15) 4_575 4_575
O12 K1 O2 122.17(17) . 4_575
O12 K1 O2 68.78(16) 4_575 4_575
O14 K1 O2 71.50(15) . .
O14 K1 O2 117.41(16) 4_575 .
O12 K1 O2 68.78(16) . .
O12 K1 O2 122.17(17) 4_575 .
O2 K1 O2 81.3(2) 4_575 .
O14 K1 O8 67.01(15) . 3_565
O14 K1 O8 100.20(17) 4_575 3_565
O12 K1 O8 66.18(16) . 3_565
O12 K1 O8 104.42(17) 4_575 3_565
O2 K1 O8 167.63(16) 4_575 3_565
O2 K1 O8 110.90(15) . 3_565
O14 K1 O8 100.20(17) . 2
O14 K1 O8 67.01(15) 4_575 2
O12 K1 O8 104.42(17) . 2
O12 K1 O8 66.18(16) 4_575 2
O2 K1 O8 110.90(15) 4_575 2
O2 K1 O8 167.63(16) . 2
O8 K1 O8 56.8(2) 3_565 2
O14 K1 K2 137.80(12) . .
O14 K1 K2 137.80(12) 4_575 .
O12 K1 K2 43.78(11) . .
O12 K1 K2 43.78(11) 4_575 .
O2 K1 K2 101.97(12) 4_575 .
O2 K1 K2 101.97(12) . .
O8 K1 K2 77.79(12) 3_565 .
O8 K1 K2 77.79(12) 2 .
O14 K1 U1 62.97(11) . .
O14 K1 U1 120.39(12) 4_575 .
O12 K1 U1 62.72(11) . .
O12 K1 U1 130.24(13) 4_575 .
O2 K1 U1 94.31(12) 4_575 .
O2 K1 U1 13.15(11) . .
O8 K1 U1 97.86(11) 3_565 .
O8 K1 U1 154.48(12) 2 .
K2 K1 U1 101.44(5) . .
O14 K1 U1 120.39(12) . 4_575
O14 K1 U1 62.97(11) 4_575 4_575
O12 K1 U1 130.24(13) . 4_575
O12 K1 U1 62.72(11) 4_575 4_575
O2 K1 U1 13.15(11) 4_575 4_575
O2 K1 U1 94.31(12) . 4_575
O8 K1 U1 154.48(12) 3_565 4_575
O8 K1 U1 97.86(11) 2 4_575
K2 K1 U1 101.44(5) . 4_575
U1 K1 U1 107.17(5) . 4_575
O14 K1 U2 60.12(11) . 3_565
O14 K1 U2 106.10(13) 4_575 3_565
O12 K1 U2 60.25(12) . 3_565
O12 K1 U2 113.31(13) 4_575 3_565
O2 K1 U2 177.20(12) 4_575 3_565
O2 K1 U2 98.73(11) . 3_565
O8 K1 U2 12.21(10) 3_565 3_565
O8 K1 U2 68.96(11) 2 3_565
K2 K1 U2 80.77(5) . 3_565
U1 K1 U2 85.665(17) . 3_565
U1 K1 U2 166.04(5) 4_575 3_565
O24 K2 O26 83.3(7) 3_565 .
O24 K2 O12 90.4(3) 3_565 4_575
O26 K2 O12 136.59(13) . 4_575
O24 K2 O12 90.4(3) 3_565 .
O26 K2 O12 136.59(13) . .
O12 K2 O12 86.1(2) 4_575 .
O24 K2 O21 170.3(5) 3_565 .
O26 K2 O21 106.3(6) . .
O12 K2 O21 82.57(19) 4_575 .
O12 K2 O21 82.57(19) . .
O24 K2 O7 116.8(2) 3_565 .
O26 K2 O7 66.1(3) . .
O12 K2 O7 148.80(19) 4_575 .
O12 K2 O7 79.07(15) . .
O21 K2 O7 68.47(15) . .
O24 K2 O7 116.8(2) 3_565 4_575
O26 K2 O7 66.1(3) . 4_575
O12 K2 O7 79.06(15) 4_575 4_575
O12 K2 O7 148.80(19) . 4_575
O21 K2 O7 68.47(15) . 4_575
O7 K2 O7 99.9(2) . 4_575
O24 K2 O13 64.49(14) 3_565 3_565
O26 K2 O13 75.4(3) . 3_565
O12 K2 O13 138.74(17) 4_575 3_565
O12 K2 O13 63.32(13) . 3_565
O21 K2 O13 117.30(11) . 3_565
O7 K2 O13 55.08(12) . 3_565
O7 K2 O13 140.68(16) 4_575 3_565
O24 K2 O13 64.49(14) 3_565 2
O26 K2 O13 75.4(3) . 2
O12 K2 O13 63.32(13) 4_575 2
O12 K2 O13 138.74(17) . 2
O21 K2 O13 117.30(11) . 2
O7 K2 O13 140.68(16) . 2
O7 K2 O13 55.08(12) 4_575 2
O13 K2 O13 123.1(2) 3_565 2
O24 K2 K1 83.6(4) 3_565 .
O26 K2 K1 167.0(6) . .
O12 K2 K1 43.50(11) 4_575 .
O12 K2 K1 43.50(11) . .
O21 K2 K1 86.7(2) . .
O7 K2 K1 120.46(11) . .
O7 K2 K1 120.45(11) 4_575 .
O13 K2 K1 98.86(10) 3_565 .
O13 K2 K1 98.86(10) 2 .
O24 K2 U2 97.49(17) 3_565 4_575
O26 K2 U2 69.32(11) . 4_575
O12 K2 U2 69.03(11) 4_575 4_575
O12 K2 U2 153.87(14) . 4_575
O21 K2 U2 86.20(9) . 4_575
O7 K2 U2 118.34(13) . 4_575
O7 K2 U2 21.11(9) 4_575 4_575
O13 K2 U2 142.13(12) 3_565 4_575
O13 K2 U2 34.12(8) 2 4_575
K1 K2 U2 112.51(4) . 4_575
O24 K2 U2 97.49(17) 3_565 .
O26 K2 U2 69.32(12) . .
O12 K2 U2 153.87(14) 4_575 .
O12 K2 U2 69.03(11) . .
O21 K2 U2 86.20(9) . .
O7 K2 U2 21.11(9) . .
O7 K2 U2 118.34(13) 4_575 .
O13 K2 U2 34.12(8) 3_565 .
O13 K2 U2 142.13(12) 2 .
K1 K2 U2 112.51(4) . .
U2 K2 U2 133.73(8) 4_575 .
O26 K3 O6 97.5(2) 3_565 .
O26 K3 O6 97.5(2) 3_565 4_565
O6 K3 O6 134.5(3) . 4_565
O26 K3 O22 83.3(5) 3_565 .
O6 K3 O22 112.12(14) . .
O6 K3 O22 112.13(14) 4_565 .
O26 K3 O1 144.0(3) 3_565 .
O6 K3 O1 61.09(15) . .
O6 K3 O1 118.2(2) 4_565 .
O22 K3 O1 79.6(3) . .
O26 K3 O1 144.0(3) 3_565 4_565
O6 K3 O1 118.2(2) . 4_565
O6 K3 O1 61.09(15) 4_565 4_565
O22 K3 O1 79.6(3) . 4_565
O1 K3 O1 62.4(2) . 4_565
O26 K3 O24 77.1(7) 3_565 .
O6 K3 O24 71.03(18) . .
O6 K3 O24 71.03(18) 4_565 .
O22 K3 O24 160.3(6) . .
O1 K3 O24 116.8(5) . .
O1 K3 O24 116.8(5) 4_565 .
O26 K3 O5 90.2(3) 3_565 .
O6 K3 O5 53.51(12) . .
O6 K3 O5 167.3(2) 4_565 .
O22 K3 O5 58.63(12) . .
O1 K3 O5 53.92(14) . .
O1 K3 O5 107.0(2) 4_565 .
O24 K3 O5 120.80(14) . .
O26 K3 O5 90.2(3) 3_565 4_565
O6 K3 O5 167.3(2) . 4_565
O6 K3 O5 53.51(12) 4_565 4_565
O22 K3 O5 58.63(12) . 4_565
O1 K3 O5 107.0(2) . 4_565
O1 K3 O5 53.92(14) 4_565 4_565
O24 K3 O5 120.80(14) . 4_565
O5 K3 O5 116.7(2) . 4_565
O26 K3 U1 122.11(11) 3_565 4_565
O6 K3 U1 138.7(2) . 4_565
O6 K3 U1 37.69(10) 4_565 4_565
O22 K3 U1 85.82(18) . 4_565
O1 K3 U1 88.01(17) . 4_565
O1 K3 U1 25.72(10) 4_565 4_565
O24 K3 U1 104.6(3) . 4_565
O5 K3 U1 129.69(19) . 4_565
O5 K3 U1 38.28(9) 4_565 4_565
O26 K3 U1 122.11(11) 3_565 .
O6 K3 U1 37.69(10) . .
O6 K3 U1 138.7(2) 4_565 .
O22 K3 U1 85.82(18) . .
O1 K3 U1 25.72(10) . .
O1 K3 U1 88.01(17) 4_565 .
O24 K3 U1 104.6(3) . .
O5 K3 U1 38.28(9) . .
O5 K3 U1 129.68(19) 4_565 .
U1 K3 U1 113.45(15) 4_565 .
O26 K3 K2 38.2(4) 3_565 3_565
O6 K3 K2 83.00(15) . 3_565
O6 K3 K2 83.00(15) 4_565 3_565
O22 K3 K2 121.5(3) . 3_565
O1 K3 K2 143.80(14) . 3_565
O1 K3 K2 143.80(14) 4_565 3_565
O24 K3 K2 38.8(5) . 3_565
O5 K3 K2 109.11(14) . 3_565
O5 K3 K2 109.11(14) 4_565 3_565
U1 K3 K2 120.11(8) 4_565 3_565
U1 K3 K2 120.11(8) . 3_565
O17 K4 O17 70.7(3) . 4_575
O17 K4 O25 129.0(4) . 3_666
O17 K4 O25 129.0(5) 4_575 3_666
O17 K4 O23 123.5(4) . .
O17 K4 O23 123.5(4) 4_575 .
O25 K4 O23 87.0(7) 3_666 .
O17 K4 O16 72.32(16) . 3_666
O17 K4 O16 138.7(3) 4_575 3_666
O25 K4 O16 89.1(3) 3_666 3_666
O23 K4 O16 65.75(15) . 3_666
O17 K4 O16 138.7(3) . 2_656
O17 K4 O16 72.32(16) 4_575 2_656
O25 K4 O16 89.1(3) 3_666 2_656
O23 K4 O16 65.75(15) . 2_656
O16 K4 O16 131.5(3) 3_666 2_656
O17 K4 O1 94.2(2) . 2_656
O17 K4 O1 62.87(19) 4_575 2_656
O25 K4 O1 68.5(5) 3_666 2_656
O23 K4 O1 142.1(3) . 2_656
O16 K4 O1 138.1(3) 3_666 2_656
O16 K4 O1 84.75(15) 2_656 2_656
O17 K4 O1 62.87(19) . 3_666
O17 K4 O1 94.2(2) 4_575 3_666
O25 K4 O1 68.5(5) 3_666 3_666
O23 K4 O1 142.1(3) . 3_666
O16 K4 O1 84.75(15) 3_666 3_666
O16 K4 O1 138.1(3) 2_656 3_666
O1 K4 O1 54.6(2) 2_656 3_666
O17 K4 U1 110.0(2) . 2_656
O17 K4 U1 60.85(16) 4_575 2_656
O25 K4 U1 68.2(4) 3_666 2_656
O23 K4 U1 124.7(2) . 2_656
O16 K4 U1 152.8(3) 3_666 2_656
O16 K4 U1 65.33(12) 2_656 2_656
O1 K4 U1 19.54(9) 2_656 2_656
O1 K4 U1 73.42(18) 3_666 2_656
O17 K4 U1 60.85(16) . 3_666
O17 K4 U1 110.0(2) 4_575 3_666
O25 K4 U1 68.2(4) 3_666 3_666
O23 K4 U1 124.7(2) . 3_666
O16 K4 U1 65.33(12) 3_666 3_666
O16 K4 U1 152.8(3) 2_656 3_666
O1 K4 U1 73.42(17) 2_656 3_666
O1 K4 U1 19.54(9) 3_666 3_666
U1 K4 U1 91.56(16) 2_656 3_666
O17 K4 K3 96.6(2) . 3_666
O17 K4 K3 96.6(2) 4_575 3_666
O25 K4 K3 42.3(5) 3_666 3_666
O23 K4 K3 129.3(5) . 3_666
O16 K4 K3 105.32(19) 3_666 3_666
O16 K4 K3 105.32(19) 2_656 3_666
O1 K4 K3 35.32(13) 2_656 3_666
O1 K4 K3 35.32(13) 3_666 3_666
U1 K4 K3 47.76(9) 2_656 3_666
U1 K4 K3 47.76(9) 3_666 3_666
U1 O1 K3 107.1(2) . .
U1 O1 K4 120.8(2) . 3_666
K3 O1 K4 103.9(2) . 3_666
U1 O2 K1 145.3(3) . .
Se2 O3 U1 133.8(3) 3_566 .
Se3 O4 U1 139.6(3) . .
Se2 O5 U1 133.1(3) . .
Se2 O5 K3 116.4(2) . .
U1 O5 K3 85.73(17) . .
Se1 O6 U1 135.4(3) . .
Se1 O6 K3 128.3(3) . .
U1 O6 K3 96.29(19) . .
U2 O7 K2 120.8(2) . .
U2 O8 K1 146.9(3) . 3_565
Se1 O11 U2 132.3(3) . .
Se1 O12 K1 130.6(3) . .
Se1 O12 K2 133.4(3) . .
K1 O12 K2 92.72(17) . .
Se1 O13 U2 130.6(3) . 3_565
Se1 O13 K2 131.5(2) . 3_565
U2 O13 K2 96.41(16) 3_565 3_565
Se2 O14 K1 132.1(3) . .
Se2 O15 U2 135.7(3) . 3_565
Se3 O16 U1 135.7(3) . 3_666
Se3 O16 K4 109.4(3) . 3_666
U1 O16 K4 114.9(2) 3_666 3_666
Se3 O17 K4 126.6(3) . .
K2 O24 K3 96.5(8) 3_565 .
K2 O26 K3 103.1(9) . 3_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O1 1.763(5) .
U1 O2 1.768(5) .
U1 O16 2.355(5) 3_666
U1 O4 2.375(5) .
U1 O6 2.389(4) .
U1 O3 2.400(4) .
U1 O5 2.413(5) .
U1 K3 3.884(3) .
U2 O8 1.750(5) .
U2 O7 1.765(5) .
U2 O15 2.356(5) 3_565
U2 O13 2.377(5) 3_565
U2 O11 2.403(4) .
U2 O9 2.432(5) .
U2 O10 2.444(5) .
Se1 O12 1.614(5) .
Se1 O6 1.641(4) .
Se1 O11 1.653(5) .
Se1 O13 1.657(5) .
Se2 O14 1.616(5) .
Se2 O3 1.642(4) 3_566
Se2 O5 1.653(5) .
Se2 O15 1.658(4) .
Se3 O17 1.612(6) .
Se3 O18 1.633(5) .
Se3 O4 1.640(5) .
Se3 O16 1.654(5) .
K1 O14 2.790(5) .
K1 O14 2.790(5) 4_575
K1 O12 2.792(5) .
K1 O12 2.792(5) 4_575
K1 O2 2.854(5) 4_575
K1 O2 2.854(5) .
K1 O8 2.948(5) 3_565
K1 O8 2.948(5) 2
K2 O24 2.73(3) 3_565
K2 O26 2.75(2) .
K2 O12 2.806(6) 4_575
K2 O12 2.806(6) .
K2 O21 2.899(11) .
K2 O7 3.024(6) .
K2 O7 3.024(6) 4_575
K2 O13 3.220(5) 3_565
K2 O13 3.220(5) 2
K3 O26 2.77(3) 3_565
K3 O6 2.811(6) .
K3 O6 2.811(6) 4_565
K3 O22 2.813(12) .
K3 O1 2.980(7) .
K3 O1 2.980(7) 4_565
K3 O24 3.06(2) .
K3 O5 3.228(6) .
K3 O5 3.228(6) 4_565
K3 U1 3.884(3) 4_565
K4 O17 2.847(8) .
K4 O17 2.847(8) 4_575
K4 O25 2.92(2) 3_666
K4 O23 2.99(3) .
K4 O16 3.160(6) 3_666
K4 O16 3.160(6) 2_656
K4 O1 3.368(9) 2_656
K4 O1 3.368(9) 3_666
O1 K4 3.368(9) 3_666
O3 Se2 1.642(4) 3_566
O8 K1 2.948(5) 3_565
O13 U2 2.377(5) 3_565
O13 K2 3.220(5) 3_565
O15 U2 2.356(5) 3_565
O16 U1 2.355(5) 3_666
O16 K4 3.160(6) 3_666
O24 K2 2.73(3) 3_565
O25 K4 2.92(2) 3_666
O26 K3 2.77(3) 3_565
