data_global _chemical_name_mineral 'Holfertite' loop_ _publ_author_name 'Sokolova E' 'Hawthorne F C' 'Belakovskiy D I' 'Pautov L A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 43 _journal_year 2005 _journal_page_first 1545 _journal_page_last 1552 _publ_section_title ; The OD (order-disorder) structure of holfertite, a hydrated uranyl titanate mineral from Searle Canyon, Thomas Range, Utah, USA ; _database_code_amcsd 0006067 _chemical_compound_source 'Searle Canyon, Thomas Range, Utah, USA' _chemical_formula_sum 'U5.31 Ti3 Ca.75 O32.46 H19.96' _cell_length_a 10.824 _cell_length_b 10.824 _cell_length_c 7.549 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 765.941 _exptl_crystal_density_diffrn 4.286 _symmetry_space_group_name_H-M 'P 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,z' '-x+y,-x,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv U1A 0.45590 0.45040 0.07240 0.75000 0.10330 U1B 0.53600 0.59500 0.07200 0.15000 0.11700 U1C 0.55900 0.51200 0.07900 0.10000 0.06800 U2 0.48690 0.49360 0.57030 0.77000 0.12700 Ti1 0.66667 0.33333 -0.18100 1.00000 0.06600 Ti2 0.66667 0.33333 0.32330 1.00000 0.05400 Ti3 0.33333 0.66667 0.32000 0.50000 0.01500 Ti4 0.33333 0.66667 0.82600 0.50000 0.02300 Ca 0.07300 0.12700 0.56000 0.25000 ? O1 0.82900 0.46100 0.34100 1.00000 0.09000 O2 0.52600 0.36100 0.79800 1.00000 0.09000 O3 0.35300 0.50700 0.81500 0.50000 0.03000 O4 0.15300 0.65200 0.29900 0.50000 0.01000 O-H5 0.26300 0.63100 0.58000 0.33000 0.05000 O6 0.62900 0.56150 0.57400 0.75000 0.04000 O7 0.64800 0.37300 0.06600 0.33000 0.05000 O8 0.30000 0.26800 0.58200 0.75000 0.11000 O-H9 0.27000 0.57100 0.08100 0.33000 0.05000 O10 0.33100 0.23000 0.06200 1.00000 0.18000 O11 0.66667 0.33333 0.57200 1.00000 0.10000 O12 0.61500 0.61500 0.06900 1.00000 0.02000 Wat13 0.15100 0.87400 0.78600 0.50000 ? Wat14 0.00000 0.00000 0.47800 0.50000 ? Wat15 0.73700 0.87900 0.06700 0.50000 ? Wat16 0.99600 0.06100 0.06200 0.50000 ? Wat17 0.08000 0.84500 0.16900 0.50000 ? Wat18 0.12700 0.08400 0.55800 0.50000 ? Wat19 0.11500 0.12900 0.06700 0.33000 ? 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 U1A 0.14100 0.05800 0.00000 -0.03300 0.00290 0.00380 U1B 0.16700 0.22000 0.02702 0.14100 -0.04700 -0.02800 U1C 0.00500 0.01700 0.13000 -0.03500 0.01300 0.01900 U2 0.16200 0.12800 0.00000 0.00300 -0.00060 -0.00600 Ti1 0.09800 0.09800 0.00000 0.04900 0.00000 0.00000 Ti2 0.08100 0.08100 0.00000 0.04000 0.00000 0.00000 Ti3 0.02200 0.02200 0.00000 0.01100 0.00000 0.00000 Ti4 0.03500 0.03500 0.00000 0.01700 0.00000 0.00000