data_global _chemical_name_mineral 'Orthominasragrite' loop_ _publ_author_name 'Hawthorne F C' 'Schindler M' 'Grice J D' 'Haynes P' _journal_name_full 'The Canadian Mineralogist' _journal_volume 39 _journal_year 2001 _journal_page_first 1325 _journal_page_last 1331 _publ_section_title ; Orthominasragrite, VO(SO4)(H2O)5, a new mineral species from Temple Mountain, Emery county, Utah, U.S.A. ; _database_code_amcsd 0005743 _chemical_compound_source 'Temple Mountain, Emery county, Utah, USA' _chemical_formula_sum 'V S O10 H10' _cell_length_a 7.242 _cell_length_b 9.319 _cell_length_c 6.192 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 417.887 _exptl_crystal_density_diffrn 2.011 _symmetry_space_group_name_H-M 'P m n 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,1/2+z' '-x,y,z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv V 0.00000 0.28670 0.00000 ? S 0.00000 0.76470 -0.02380 ? O(1) 0.00000 0.34680 0.23900 ? OW(2) 0.00000 0.17080 0.68480 ? OW(3) 0.20300 0.13900 0.04590 ? OW(4) 0.19380 0.41540 0.86810 ? O(5) 0.16530 0.85630 -0.04290 ? O(6) 0.00000 0.66080 0.79970 ? O(7) 0.00000 0.69110 0.18810 ? H(1) 0.00000 0.15700 0.52800 0.03000 H(2) 0.00000 0.25600 0.59200 0.03000 H(3) 0.16400 0.04500 -0.00700 0.03000 H(4) 0.27400 0.13100 0.18000 0.03000 H(5) 0.30600 0.37000 0.81200 0.03000 H(6) 0.18900 0.51700 0.82900 0.03000 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 V 0.01880 0.01650 0.01730 0.00000 0.00000 -0.00350 S 0.01810 0.01640 0.01880 0.00000 0.00000 0.00110 O(1) 0.04470 0.02850 0.02490 0.00000 0.00000 -0.00980 OW(2) 0.03020 0.03080 0.01520 0.00000 0.00000 0.00000 OW(3) 0.02970 0.01870 0.02820 0.00340 -0.00900 -0.00210 OW(4) 0.02080 0.02400 0.04940 -0.00120 0.01020 0.00240 O(5) 0.01740 0.02440 0.02590 -0.00360 0.00280 0.00320 O(6) 0.03670 0.01840 0.03910 0.00000 0.00000 -0.00070 O(7) 0.02450 0.03670 0.02380 0.00000 0.00000 0.01110