data_global _chemical_name_mineral 'Hashemite' loop_ _publ_author_name 'Duesler E N' 'Foord E E' _journal_name_full 'American Mineralogist' _journal_volume 71 _journal_year 1986 _journal_page_first 1217 _journal_page_last 1220 _publ_section_title ; Crystal structure of hashemite, BaCrO4, a barite structure type ; _database_code_amcsd 0001046 _chemical_compound_source 'from a stone quarry 60 km southeast of Amman, west-central Jordan' _chemical_formula_sum 'Ba (Cr.9 S.1) O4' _cell_length_a 9.1028 _cell_length_b 5.5276 _cell_length_c 7.3314 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 368.891 _exptl_crystal_density_diffrn 4.525 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-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_occupancy Ba 0.81690 0.75000 -0.15551 1.00000 Cr 0.44225 0.75000 0.19404 0.90000 S 0.44225 0.75000 0.19404 0.10000 O1 0.60990 0.75000 0.11460 1.00000 O2 0.31850 0.75000 0.03300 1.00000 O3 0.41800 0.50780 0.32310 1.00000 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 Ba 0.02420 0.03480 0.02590 0.00000 -0.00030 0.00000 Cr 0.02450 0.02750 0.02400 0.00000 0.00040 0.00000 S 0.02450 0.02750 0.02400 0.00000 0.00040 0.00000 O1 0.03100 0.05600 0.04800 0.00000 0.01300 0.00000 O2 0.04300 0.04800 0.03200 0.00000 -0.00900 0.00000 O3 0.03100 0.02800 0.03400 0.00000 -0.00100 0.00200