data_global _amcsd_formula_title 'Cs4[(UO2)3O(MoO4)2(MoO5)]' loop_ _publ_author_name 'Krivovichev S V' 'Burns P C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 40 _journal_year 2002 _journal_page_first 201 _journal_page_last 209 _publ_section_title ; Crystal chemistry of uranyl molybdates. VI. New uranyl molybdate units in the structures of Cs4[(UO2)3O(MoO4)2(MoO5)] and Cs6[(UO2)(MoO4)4] ; _database_code_amcsd 0005765 _chemical_formula_sum 'U3 Mo3 Cs4 O20' _cell_length_a 7.510 _cell_length_b 7.897 _cell_length_c 9.774 _cell_angle_alpha 79.279 _cell_angle_beta 81.269 _cell_angle_gamma 87.251 _cell_volume 562.827 _exptl_crystal_density_diffrn 5.469 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz 'x,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) 0.01499 0.85419 0.80084 0.01260 U(2) -0.02434 0.01907 0.14717 0.01180 U(3) -0.01698 0.53349 0.15619 0.01110 Mo(1) -0.08320 0.19660 0.49920 0.01500 Mo(2) -0.14890 0.34830 0.88450 0.01660 Mo(3) 0.20000 0.72350 0.44070 0.01310 Cs(1) -0.52490 0.25280 0.27540 0.02510 Cs(2) -0.31630 0.71010 0.51480 0.03130 Cs(3) 0.48430 0.78370 0.04170 0.02690 Cs(4) 0.35480 0.27620 0.75440 0.04560 O(1) -0.25800 0.96600 0.19300 0.02100 O(2) 0.21900 0.48700 0.10900 0.02200 O(3) -0.04800 0.12500 0.90600 0.02200 O(4) -0.25300 0.57800 0.21600 0.02400 O(5) 0.25900 0.85400 0.79100 0.02200 O(6) 0.05400 0.73100 0.60100 0.02100 O(7) 0.07300 0.74000 0.29300 0.01500 O(8) 0.05000 0.10100 0.63000 0.01700 O(9) 0.33200 0.54000 0.46200 0.03000 O(10) -0.22100 0.86200 0.79300 0.02000 O(11) -0.10400 0.29100 0.11300 0.01800 O(12) -0.03100 0.54600 0.90200 0.02100 O(13) -0.04300 0.05000 0.38200 0.04000 O(14) 0.00600 0.80100 0.02900 0.01900 O(15) -0.13300 0.38500 0.70300 0.04400 O(16) 0.35000 0.89000 0.40500 0.02500 O(17) -0.00900 0.39400 0.39600 0.02800 O(18) 0.21200 0.07000 0.10500 0.02500 O(19) -0.37600 0.35600 0.93900 0.04100 O(20) -0.31000 0.20000 0.54900 0.04300 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) 0.01600 0.01310 0.00860 -0.00090 -0.00300 -0.00080 U(2) 0.01620 0.00900 0.01040 -0.00060 -0.00300 -0.00170 U(3) 0.01480 0.00840 0.01030 -0.00010 -0.00340 -0.00140 Mo(1) 0.01920 0.01390 0.01160 -0.00060 -0.00440 0.00050 Mo(2) 0.02620 0.01070 0.01470 0.00110 -0.00950 -0.00220 Mo(3) 0.01270 0.01630 0.01050 -0.00010 -0.00310 -0.00200 Cs(1) 0.02310 0.02120 0.03250 0.00240 -0.00850 -0.00560 Cs(2) 0.01810 0.04580 0.03040 -0.00490 -0.00700 -0.00430 Cs(3) 0.01820 0.03380 0.02660 -0.00040 -0.00350 0.00000 Cs(4) 0.03570 0.05700 0.04240 -0.01700 -0.00910 0.00100 O(1) 0.02100 0.01700 0.02700 -0.00400 -0.00600 -0.00200 O(2) 0.02100 0.02400 0.02300 0.00000 -0.00300 -0.00900 O(3) 0.03700 0.01400 0.01700 -0.00300 -0.00800 -0.00500 O(4) 0.02500 0.02200 0.02400 0.00600 -0.00100 -0.00500 O(5) 0.01300 0.03900 0.01200 0.00600 -0.00100 -0.00200 O(6) 0.02700 0.02100 0.01700 0.00000 -0.00400 -0.00800 O(7) 0.01800 0.01400 0.01300 0.00000 -0.00800 0.00200 O(8) 0.02500 0.01200 0.01200 -0.00500 -0.00400 0.00400 O(9) 0.02900 0.02800 0.03400 0.01300 -0.01300 -0.00800 O(10) 0.01300 0.02600 0.02600 0.00200 -0.00700 -0.01600 O(11) 0.02300 0.01400 0.01900 -0.00300 -0.00600 -0.00300 O(12) 0.03900 0.00600 0.01800 0.00100 -0.01000 0.00100 O(13) 0.08000 0.02500 0.01400 0.00300 -0.00900 -0.00200 O(14) 0.03700 0.01000 0.00900 -0.00100 -0.00200 -0.00100 O(15) 0.10000 0.01400 0.01900 -0.00400 -0.02500 -0.00100 O(16) 0.02400 0.03000 0.01700 -0.01200 -0.00100 0.00700 O(17) 0.05000 0.02000 0.01500 -0.00700 -0.01200 0.00300 O(18) 0.02400 0.01300 0.03300 -0.00300 -0.00300 0.00800 O(19) 0.02300 0.04000 0.06000 -0.00400 -0.01600 -0.00800 O(20) 0.02300 0.07000 0.02400 -0.01100 -0.00500 0.01300