data_global _chemical_name_mineral 'Hawthorneite' loop_ _publ_author_name 'Grey I E' 'Madsen I C' 'Haggerty S E' _journal_name_full 'American Mineralogist' _journal_volume 72 _journal_year 1987 _journal_page_first 633 _journal_page_last 636 _publ_section_title ; Structure of a new upper-mantle, magnetoplumbite-type phase, Ba(Ti3Cr4Fe4Mg)O19 ; _database_code_amcsd 0001094 _chemical_formula_sum 'Ba.85 K.12 Cr4.72 Fe3.54 Mg.72 Ti3.02 O19' _cell_length_a 5.871 _cell_length_b 5.871 _cell_length_c 23.06 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 688.357 _exptl_crystal_density_diffrn 4.972 _symmetry_space_group_name_H-M 'P 63/m m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,z' 'x-y,-y,-z' '-x,-y,-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 Ba 0.33333 0.66667 0.75000 0.85000 0.00887 K 0.33333 0.66667 0.75000 0.12000 0.00887 Cr1 0.00000 0.00000 0.00000 1.00000 0.00456 Fe2 0.00000 0.00000 0.25710 0.50000 0.00887 Fe3 0.33333 0.66667 0.02680 0.64000 0.00621 Mg3 0.33333 0.66667 0.02680 0.36000 0.00621 Ti4 0.33333 0.66667 0.18880 1.00000 0.00443 Cr5 0.16620 0.33240 -0.10630 0.62000 0.00557 Ti5 0.16620 0.33240 -0.10630 0.17000 0.00557 Fe5 0.16620 0.33240 -0.10630 0.21000 0.00557 O1 0.00000 0.00000 0.15120 1.00000 0.00557 O2 0.33333 0.66667 -0.05990 1.00000 0.00545 O3 0.18780 0.37560 0.25000 1.00000 0.01722 O4 0.14830 0.29660 0.05480 1.00000 0.00494 O5 0.50200 0.00400 0.15080 1.00000 0.00621