data_global _chemical_name_mineral 'Pyrophanite' loop_ _publ_author_name 'Liferovich R P' 'Mitchell R H' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 32 _journal_year 2005 _journal_page_first 442 _journal_page_last 449 _publ_section_title ; Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures ; _database_code_amcsd 0008979 _chemical_formula_sum '(Ni.25 Mn.25 Zn.25 Mg.25) Ti O3' _cell_length_a 5.0770 _cell_length_b 5.0770 _cell_length_c 13.9727 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 311.907 _exptl_crystal_density_diffrn 4.686 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 NiA 0.00000 0.00000 0.35780 0.25000 0.00709 MnA 0.00000 0.00000 0.35780 0.25000 0.00709 ZnA 0.00000 0.00000 0.35780 0.25000 0.00709 MgA 0.00000 0.00000 0.35780 0.25000 0.00709 TiB 0.00000 0.00000 0.14590 1.00000 0.00279 O1 0.32020 0.02400 0.24620 1.00000 0.00760