#------------------------------------------------------------------------------ #$Date$ #$Revision$ #$URL$ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1500001 loop_ _publ_author_name 'David J. Steward' 'Osvald Knop' 'Conrad Ayasse' 'F. W. D. Woodhams' _publ_section_title 'Pyrochlores. VII. The oxides of antimony: an X-ray and Moessbauer study' _journal_name_full 'Canadian Journal of Chemistry' _journal_page_first 690 _journal_page_last 700 _journal_volume 50 _journal_year 1972 _chemical_formula_sum 'Sb6 O13' _chemical_name_common 'Antimony Oxide (6/13)' _space_group_IT_number 227 _symmetry_space_group_name_Hall '-F 4vw 2vw 3' _symmetry_space_group_name_H-M 'F d -3 m' _audit_creation_method 'Crystallographica 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.303 _cell_length_b 10.303 _cell_length_c 10.303 _cell_volume 1093.68 _[local]_cod_data_source_file 108994.cif _[local]_cod_data_source_block AntimonyOxide loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, y+1/2, z+1/2' 'x+1/2, y, z+1/2' 'x+1/2, y+1/2, z' '-x, -y, -z' '-x, -y+1/2, -z+1/2' '-x+1/2, -y, -z+1/2' '-x+1/2, -y+1/2, -z' '-y, x+1/4, z+1/4' '-y, x-1/4, z-1/4' '-y+1/2, x+1/4, z-1/4' '-y+1/2, x-1/4, z+1/4' 'y, -x-1/4, -z-1/4' 'y, -x+1/4, -z+1/4' 'y+1/2, -x-1/4, -z+1/4' 'y+1/2, -x+1/4, -z-1/4' '-x+1/4, -y+1/4, z' '-x+1/4, -y-1/4, z+1/2' '-x-1/4, -y+1/4, z+1/2' '-x-1/4, -y-1/4, z' 'x-1/4, y-1/4, -z' 'x-1/4, y+1/4, -z+1/2' 'x+1/4, y-1/4, -z+1/2' 'x+1/4, y+1/4, -z' 'y+1/4, -x, z+1/4' 'y+1/4, -x+1/2, z-1/4' 'y-1/4, -x, z-1/4' 'y-1/4, -x+1/2, z+1/4' '-y-1/4, x, -z-1/4' '-y-1/4, x+1/2, -z+1/4' '-y+1/4, x, -z+1/4' '-y+1/4, x+1/2, -z-1/4' 'x+1/4, -z, y+1/4' 'x+1/4, -z+1/2, y-1/4' 'x-1/4, -z, y-1/4' 'x-1/4, -z+1/2, y+1/4' '-x-1/4, z, -y-1/4' '-x-1/4, z+1/2, -y+1/4' '-x+1/4, z, -y+1/4' '-x+1/4, z+1/2, -y-1/4' 'x, -y+1/4, -z+1/4' 'x, -y-1/4, -z-1/4' 'x+1/2, -y+1/4, -z-1/4' 'x+1/2, -y-1/4, -z+1/4' '-x, y-1/4, z-1/4' '-x, y+1/4, z+1/4' '-x+1/2, y-1/4, z+1/4' '-x+1/2, y+1/4, z-1/4' 'x+1/4, z+1/4, -y' 'x+1/4, z-1/4, -y+1/2' 'x-1/4, z+1/4, -y+1/2' 'x-1/4, z-1/4, -y' '-x-1/4, -z-1/4, y' '-x-1/4, -z+1/4, y+1/2' '-x+1/4, -z-1/4, y+1/2' '-x+1/4, -z+1/4, y' 'z+1/4, y+1/4, -x' 'z+1/4, y-1/4, -x+1/2' 'z-1/4, y+1/4, -x+1/2' 'z-1/4, y-1/4, -x' '-z-1/4, -y-1/4, x' '-z-1/4, -y+1/4, x+1/2' '-z+1/4, -y-1/4, x+1/2' '-z+1/4, -y+1/4, x' '-x+1/4, y, -z+1/4' '-x+1/4, y+1/2, -z-1/4' '-x-1/4, y, -z-1/4' '-x-1/4, y+1/2, -z+1/4' 'x-1/4, -y, z-1/4' 'x-1/4, -y+1/2, z+1/4' 'x+1/4, -y, z+1/4' 'x+1/4, -y+1/2, z-1/4' '-z, y+1/4, x+1/4' '-z, y-1/4, x-1/4' '-z+1/2, y+1/4, x-1/4' '-z+1/2, y-1/4, x+1/4' 'z, -y-1/4, -x-1/4' 'z, -y+1/4, -x+1/4' 'z+1/2, -y-1/4, -x+1/4' 'z+1/2, -y+1/4, -x-1/4' 'z, x, y' 'z, x+1/2, y+1/2' 'z+1/2, x, y+1/2' 'z+1/2, x+1/2, y' '-z, -x, -y' '-z, -x+1/2, -y+1/2' '-z+1/2, -x, -y+1/2' '-z+1/2, -x+1/2, -y' 'y, z, x' 'y, z+1/2, x+1/2' 'y+1/2, z, x+1/2' 'y+1/2, z+1/2, x' '-y, -z, -x' '-y, -z+1/2, -x+1/2' '-y+1/2, -z, -x+1/2' '-y+1/2, -z+1/2, -x' '-y+1/4, -z+1/4, x' '-y+1/4, -z-1/4, x+1/2' '-y-1/4, -z+1/4, x+1/2' '-y-1/4, -z-1/4, x' 'y-1/4, z-1/4, -x' 'y-1/4, z+1/4, -x+1/2' 'y+1/4, z-1/4, -x+1/2' 'y+1/4, z+1/4, -x' 'z, -x+1/4, -y+1/4' 'z, -x-1/4, -y-1/4' 'z+1/2, -x+1/4, -y-1/4' 'z+1/2, -x-1/4, -y+1/4' '-z, x-1/4, y-1/4' '-z, x+1/4, y+1/4' '-z+1/2, x-1/4, y+1/4' '-z+1/2, x+1/4, y-1/4' '-y+1/4, z, -x+1/4' '-y+1/4, z+1/2, -x-1/4' '-y-1/4, z, -x-1/4' '-y-1/4, z+1/2, -x+1/4' 'y-1/4, -z, x-1/4' 'y-1/4, -z+1/2, x+1/4' 'y+1/4, -z, x+1/4' 'y+1/4, -z+1/2, x-1/4' '-z+1/4, -x+1/4, y' '-z+1/4, -x-1/4, y+1/2' '-z-1/4, -x+1/4, y+1/2' '-z-1/4, -x-1/4, y' 'z-1/4, x-1/4, -y' 'z-1/4, x+1/4, -y+1/2' 'z+1/4, x-1/4, -y+1/2' 'z+1/4, x+1/4, -y' '-z+1/4, x, -y+1/4' '-z+1/4, x+1/2, -y-1/4' '-z-1/4, x, -y-1/4' '-z-1/4, x+1/2, -y+1/4' 'z-1/4, -x, y-1/4' 'z-1/4, -x+1/2, y+1/4' 'z+1/4, -x, y+1/4' 'z+1/4, -x+1/2, y-1/4' 'y, -z+1/4, -x+1/4' 'y, -z-1/4, -x-1/4' 'y+1/2, -z+1/4, -x-1/4' 'y+1/2, -z-1/4, -x+1/4' '-y, z-1/4, x-1/4' '-y, z+1/4, x+1/4' '-y+1/2, z-1/4, x+1/4' '-y+1/2, z+1/4, x-1/4' 'y+1/4, x+1/4, -z' 'y+1/4, x-1/4, -z+1/2' 'y-1/4, x+1/4, -z+1/2' 'y-1/4, x-1/4, -z' '-y-1/4, -x-1/4, z' '-y-1/4, -x+1/4, z+1/2' '-y+1/4, -x-1/4, z+1/2' '-y+1/4, -x+1/4, z' '-y, -x, -z' '-y, -x+1/2, -z+1/2' '-y+1/2, -x, -z+1/2' '-y+1/2, -x+1/2, -z' 'y, x, z' 'y, x+1/2, z+1/2' 'y+1/2, x, z+1/2' 'y+1/2, x+1/2, z' '-x, z+1/4, y+1/4' '-x, z-1/4, y-1/4' '-x+1/2, z+1/4, y-1/4' '-x+1/2, z-1/4, y+1/4' 'x, -z-1/4, -y-1/4' 'x, -z+1/4, -y+1/4' 'x+1/2, -z-1/4, -y+1/4' 'x+1/2, -z+1/4, -y-1/4' '-x, -z, -y' '-x, -z+1/2, -y+1/2' '-x+1/2, -z, -y+1/2' '-x+1/2, -z+1/2, -y' 'x, z, y' 'x, z+1/2, y+1/2' 'x+1/2, z, y+1/2' 'x+1/2, z+1/2, y' 'z+1/4, -y, x+1/4' 'z+1/4, -y+1/2, x-1/4' 'z-1/4, -y, x-1/4' 'z-1/4, -y+1/2, x+1/4' '-z-1/4, y, -x-1/4' '-z-1/4, y+1/2, -x+1/4' '-z+1/4, y, -x+1/4' '-z+1/4, y+1/2, -x-1/4' '-z, -y, -x' '-z, -y+1/2, -x+1/2' '-z+1/2, -y, -x+1/2' '-z+1/2, -y+1/2, -x' 'z, y, x' 'z, y+1/2, x+1/2' 'z+1/2, y, x+1/2' 'z+1/2, y+1/2, x' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy Sb1 Sb5+ 0.5 0.5 0.5 0.0113986 Uiso 1 Sb2 Sb3+ 0 0 0 0.0785239 Uiso 0.5 O1 O2- 0.125 0.125 0.125 0.149449 Uiso 0.5 O2 O2- 0.4304 0.125 0.125 0.0215308 Uiso 1