data_global _amcsd_formula_title 'KNa5[(UO2)(SO4)4](H2O)' loop_ _publ_author_name 'Hayden L A' 'Burns P C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 40 _journal_year 2002 _journal_page_first 211 _journal_page_last 216 _publ_section_title ; The sharing of an edge between a uranyl pentagonal bipyramid and sulfate tetrahedron in the structure of KNa5[(UO2)(SO4)4](H2O) ; _database_code_amcsd 0005767 _chemical_formula_sum 'U S4 K Na5 O19 H2' _cell_length_a 16.917 _cell_length_b 5.5999 _cell_length_c 35.340 _cell_angle_alpha 90 _cell_angle_beta 90.437 _cell_angle_gamma 90 _cell_volume 3347.785 _exptl_crystal_density_diffrn 3.279 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv U(1) 0.06470 0.85430 0.13050 0.01600 S(1) -0.04060 0.05410 0.19420 0.01500 S(2) 0.19840 0.59470 0.20050 0.01600 S(3) 0.19330 0.74870 0.05230 0.01700 S(4) 0.44750 0.23070 0.04810 0.01900 K(1) 0.29120 0.43520 0.11830 0.05800 Na(1) 0.25000 0.25000 0.00000 0.02600 Na(2) 0.15050 0.10400 0.23630 0.02400 Na(3) 0.00000 0.57940 0.25000 0.02500 Na(4) 0.07540 0.28410 0.05050 0.02800 Na(5) 0.33200 0.06350 0.19920 0.03100 Na(6) 0.38830 0.70970 0.02390 0.02900 O(1) 0.11070 0.12860 0.11790 0.02300 O(2) -0.07990 0.86750 0.21610 0.02100 O(3) 0.14330 0.66970 0.08480 0.02300 O(4) 0.04610 0.01090 0.19480 0.01900 O(5) 0.01940 0.58310 0.14210 0.02200 O(6) 0.24230 0.38300 0.18940 0.03200 O(7) -0.06080 0.28720 0.20920 0.02200 O(8) 0.16700 0.98050 0.03820 0.02300 O(9) -0.06130 0.03170 0.15330 0.01900 O(10) 0.45660 -0.01250 0.06250 0.02200 O(11) 0.18260 0.56720 0.02300 0.02400 O(12) 0.36430 0.29930 0.04610 0.03500 O(13) 0.48710 0.40270 0.07540 0.02300 O(14) 0.12920 0.52560 0.22230 0.02500 O(15) 0.17460 0.72830 0.16570 0.02600 O(16) 0.24750 0.75870 0.22290 0.02600 O(17) 0.27510 0.75950 0.06530 0.03300 O(18) 0.48410 0.25900 0.01130 0.03700 Wat19 -0.15640 0.48910 0.13110 0.04600 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 U(1) 0.01800 0.01500 0.01400 0.00200 0.00100 0.00000 S(1) 0.01600 0.01400 0.01500 0.00200 0.00100 -0.00200 S(2) 0.01700 0.01300 0.01700 0.00200 -0.00200 0.00000 S(3) 0.01900 0.01600 0.01700 0.00300 0.00400 -0.00100 S(4) 0.02400 0.01600 0.01700 0.00300 -0.00400 -0.00200 K(1) 0.07600 0.06400 0.03300 0.03300 0.01100 0.01900 Na(1) 0.02700 0.01800 0.03400 0.00200 0.01000 -0.00500 Na(2) 0.02300 0.02100 0.02600 -0.00200 -0.00100 -0.00200 Na(3) 0.02100 0.01900 0.03400 0.00000 -0.00500 0.00000 Na(4) 0.02600 0.02400 0.03400 0.00700 0.00300 0.00000 Na(5) 0.02500 0.02000 0.04700 0.00100 -0.00300 0.00400 Na(6) 0.03300 0.02300 0.02900 -0.00300 -0.00600 0.00000 O(1) 0.02800 0.01700 0.02400 -0.00400 0.00300 0.00100 O(2) 0.02600 0.01700 0.02100 -0.00200 0.00400 0.00200 O(3) 0.03500 0.01400 0.01900 0.00600 0.01100 0.00200 O(4) 0.01300 0.02600 0.02000 0.00200 -0.00100 -0.00600 O(5) 0.02400 0.01600 0.02600 -0.00100 0.00300 0.00100 O(6) 0.03200 0.02600 0.03800 0.01600 -0.00100 -0.00600 O(7) 0.02700 0.01400 0.02400 0.00300 0.00300 -0.00800 O(8) 0.03100 0.01300 0.02500 0.00500 0.00800 0.00300 O(9) 0.01900 0.02400 0.01500 0.00600 -0.00100 -0.00300 O(10) 0.02800 0.01300 0.02400 0.00200 -0.00200 0.00000 O(11) 0.03100 0.02000 0.02000 0.00500 0.00200 -0.00600 O(12) 0.02400 0.02400 0.05600 0.00800 -0.01300 -0.00100 O(13) 0.03200 0.01300 0.02400 0.00200 -0.00900 -0.00300 O(14) 0.02200 0.02300 0.03100 -0.00300 0.00500 0.00700 O(15) 0.02300 0.03400 0.02100 0.00300 -0.00200 0.00700 O(16) 0.02900 0.02000 0.02800 -0.00700 -0.00700 0.00000 O(17) 0.01900 0.03300 0.04700 0.00300 -0.00500 -0.00400 O(18) 0.05500 0.03400 0.02100 -0.01200 0.00800 -0.00300 Wat19 0.03900 0.05500 0.04400 -0.00500 0.00900 -0.00900