data_global _chemical_name_mineral 'Schafarzikite' loop_ _publ_author_name 'Fischer R' 'Pertlik F' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 22 _journal_year 1975 _journal_page_first 236 _journal_page_last 241 _publ_section_title ; Verfeinerung der kristallstruktur des schafarzikites, FeSb2O4 ; _database_code_amcsd 0015656 _chemical_compound_source 'Pernek, Slowakei, CSSR' _chemical_formula_sum 'Fe Sb2 O4' _cell_length_a 8.590 _cell_length_b 8.590 _cell_length_c 5.913 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 436.309 _exptl_crystal_density_diffrn 5.531 _symmetry_space_group_name_H-M 'P 42/m b c' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2-z' 'y,-x,1/2-z' '-y,x,1/2+z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' 'x,y,-z' '-x,-y,z' '1/2+y,1/2+x,1/2+z' '1/2-y,1/2-x,1/2-z' '-y,x,1/2-z' 'y,-x,1/2+z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe 0.00000 0.50000 0.25000 Sb 0.17636 0.16587 0.00000 O1 0.67940 0.17940 0.25000 O2 0.10180 0.64120 0.00000 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 Fe 0.00822 0.00822 0.00496 -0.00075 0.00000 0.00000 Sb 0.01215 0.00994 0.00779 -0.00022 0.00000 0.00000 O1 0.02243 0.02243 0.03011 -0.00897 -0.00283 0.00283 O2 0.00822 0.00822 0.01417 -0.00224 0.00000 0.00000