data_global _amcsd_formula_title 'F3.2 Fe0.8 Zr0.2' loop_ _publ_author_name 'Ruchaud N' 'Grannec J' 'Hagenmuller P' 'Soubeyroux J' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 183 _journal_year 1992 _journal_page_first 263 _journal_page_last 270 _publ_section_title ; A neutron diffraction study of the anion-excess cubic ReO3-type derived phase Fe0.80Zr0.20F3.20 _cod_database_code 1008562 ; _database_code_amcsd 0016453 _chemical_formula_sum 'Fe.133 Zr.033 F.533' _cell_length_a 3.8413 _cell_length_b 3.8413 _cell_length_c 3.8413 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 56.681 _exptl_crystal_density_diffrn 3.623 _symmetry_space_group_name_H-M 'P m 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'z,-x,y' '-y,z,-x' 'x,-y,z' '-z,x,-y' 'y,-z,x' '-x,y,-z' 'x,-z,-y' '-z,y,x' 'y,-x,-z' '-x,z,y' 'z,-y,-x' '-y,x,z' 'x,z,y' '-z,-y,-x' 'y,x,z' '-x,-z,-y' 'z,y,x' '-y,-x,-z' 'z,x,-y' '-y,-z,x' 'x,y,-z' '-z,-x,y' 'y,z,-x' '-x,-y,z' '-z,x,y' 'y,-z,-x' '-x,y,z' 'z,-x,-y' '-y,z,x' 'x,-y,-z' '-x,z,-y' 'z,-y,x' '-y,x,-z' 'x,-z,y' '-z,y,-x' 'y,-x,z' '-x,-z,y' 'z,y,-x' '-y,-x,z' 'x,z,-y' '-z,-y,x' 'y,x,-z' '-z,-x,-y' 'y,z,x' '-x,-y,-z' 'z,x,y' '-y,-z,-x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe1 0.00000 0.00000 0.02400 0.13330 Zr1 0.00000 0.00000 0.02400 0.03330 F1 0.50000 0.04500 0.04500 0.23580 F2 0.50000 0.28000 0.15000 0.01540