data_global _amcsd_formula_title '(NH4)2[(UO2)6(MoO4)7(H2O)2]' loop_ _publ_author_name 'Krivovichev S V' 'Burns P C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 39 _journal_year 2001 _journal_page_first 207 _journal_page_last 214 _publ_section_title ; Crystal chemistry of uranyl molybdates. IV. The structures of M2[(UO2)6(MoO4)7(H2O)2] (M=Cs,NH4) ; _database_code_amcsd 0005717 _chemical_formula_sum 'N3 U6 Mo7 O42 H4' _cell_length_a 13.970 _cell_length_b 10.747 _cell_length_c 25.607 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3844.522 _exptl_crystal_density_diffrn 4.868 _symmetry_space_group_name_H-M 'P b c m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,1/2+y,z' 'x,1/2-y,-z' 'x,y,1/2-z' '-x,-y,1/2+z' '-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 NH4_1 -0.39500 -0.25000 0.50000 0.04200 NH4_2 -0.15200 -0.77800 0.30310 0.04500 U1 0.13485 0.09365 0.25000 0.02040 U2 -0.36907 -0.56850 0.41631 0.01470 U3 -0.13501 -0.05950 0.42683 0.01670 U4 -0.39610 -0.98456 0.25000 0.01740 Mo1 -0.17140 0.25000 0.50000 0.01690 Mo2 -0.39167 -0.91311 0.40233 0.01520 Mo3 -0.33638 -0.25915 0.34638 0.01560 Mo4 0.10636 0.08069 0.40006 0.01800 O1 -0.27010 -0.00200 0.25000 0.02600 O2 -0.43050 -0.77290 0.43280 0.01800 O3 -0.11470 -0.00920 0.36170 0.02700 O4 -0.38750 -0.50880 0.47960 0.02400 O5 -0.16070 -0.10950 0.49130 0.02600 O6 -0.52340 -0.97000 0.25000 0.02100 O7 -0.34690 -0.62740 0.35270 0.02300 O8 -0.27460 -0.93810 0.42500 0.02400 O9 -0.10200 0.13860 0.46570 0.02100 O10 -0.40550 -0.15490 0.30820 0.02800 O11 0.23100 0.05220 0.40750 0.02600 O12 -0.38150 -0.89610 0.33480 0.02800 O13 0.07840 0.23880 0.41120 0.03200 O14 -0.27140 -0.17620 0.39420 0.02100 O15 -0.25460 -0.32950 0.30410 0.03100 O16 -0.46240 -0.04650 0.41480 0.01600 O17 -0.40960 -0.37150 0.37840 0.02300 O18 -0.24370 0.17670 0.54740 0.03000 Wat19 -0.03000 -0.00200 0.25000 0.04200 O20 0.03390 -0.02670 0.43360 0.01900 Wat21 -0.37510 -0.75000 0.25000 0.02800 O22 0.08050 0.05310 0.33440 0.04100 O23 0.07800 0.24100 0.25000 0.04400 O24 0.19000 -0.05500 0.25000 0.03800 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 U1 0.02470 0.01790 0.01840 -0.00570 0.00000 0.00000 U2 0.01550 0.01140 0.01710 0.00040 -0.00130 0.00000 U3 0.01690 0.01350 0.01950 -0.00140 0.00020 0.00190 U4 0.02290 0.01430 0.01490 0.00100 0.00000 0.00000 Mo1 0.01380 0.01260 0.02440 0.00000 0.00000 0.00250 Mo2 0.01780 0.01210 0.01570 -0.00210 0.00190 -0.00110 Mo3 0.01810 0.01220 0.01670 0.00040 0.00190 0.00110 Mo4 0.01610 0.01630 0.02140 -0.00200 0.00180 0.00280