data_global _chemical_name_mineral 'Umohoite' loop_ _publ_author_name 'Krivovichev S V' 'Burns P C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 38 _journal_year 2000 _journal_page_first 717 _journal_page_last 726 _publ_section_title ; Crystal chemistry of uranyl molybdates. 1. The structure and formula of umohoite ; _database_code_amcsd 0005655 _chemical_formula_sum 'U Mo O8 H4' _cell_length_a 6.3748 _cell_length_b 7.5287 _cell_length_c 14.628 _cell_angle_alpha 82.64 _cell_angle_beta 85.95 _cell_angle_gamma 89.91 _cell_volume 694.513 _exptl_crystal_density_diffrn 4.457 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z U1 0.25592 0.80029 0.29699 U2 0.15158 0.29981 0.29871 Mo1 0.70730 0.05750 0.27210 Mo2 0.70730 0.55580 0.27240 O1 0.64000 0.80400 0.28920 O2 0.23200 0.76800 0.42000 O3 0.99300 0.59000 0.29570 O4 0.76900 0.30000 0.29700 O5 0.11700 0.26800 0.42330 O6 0.99300 0.01100 0.29610 O7 0.41200 0.09000 0.29840 O8 0.17800 0.33100 0.17580 O9 0.41500 0.50900 0.29930 O10 0.28000 0.82800 0.17440 O11 0.72400 0.09300 0.15460 O12 0.72400 0.57700 0.15560 Wat13 0.68700 0.52700 0.44070 Wat14 0.68600 0.99600 0.44210 Wat15 0.74300 0.12600 -0.00200 Wat16 0.75300 0.62400 0.00300 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 0.00880 0.00620 0.01980 0.00030 -0.00160 -0.00240 U2 0.00860 0.00660 0.02190 0.00030 -0.00100 -0.00260 Mo1 0.00650 0.01210 0.03030 0.00060 -0.00260 -0.00360 Mo2 0.00600 0.01300 0.03350 0.00030 -0.00260 -0.00470 O1 0.01500 0.00700 0.03600 -0.00400 0.00000 -0.00900 O2 0.02800 0.01300 0.03100 -0.00200 -0.00200 -0.00100 O3 0.00500 0.00700 0.03700 0.00200 -0.00200 0.00000 O4 0.01000 0.00600 0.04500 -0.00100 -0.00200 -0.00400 O5 0.03100 0.01800 0.02400 -0.00600 -0.00200 -0.00300 O6 0.01100 0.00700 0.03700 0.00000 -0.00200 0.00100 O7 0.00200 0.00700 0.04100 0.00300 0.00100 -0.00700 O8 0.02800 0.02000 0.03100 -0.00200 0.00100 -0.00600 O9 0.00300 0.01300 0.04300 -0.00500 -0.00300 -0.00400 O10 0.02900 0.02500 0.01800 -0.00100 0.00100 -0.00700 O11 0.02200 0.03500 0.03200 0.00200 0.00200 -0.00100 O12 0.02300 0.04600 0.02400 0.00800 0.00000 -0.00500 Wat13 0.03000 0.03600 0.02000 0.00500 0.00200 0.00000 Wat14 0.03200 0.04000 0.03100 -0.00400 0.00300 0.00000 Wat15 0.05600 0.07200 0.10800 0.02300 -0.01800 -0.02900 Wat16 0.04500 0.05000 0.15000 0.01100 0.00000 -0.04000