#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/17/1541754.cif $ #------------------------------------------------------------------------------ # # 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_1541754 loop_ _publ_author_name 'Hamedi, O.M.' 'Besse, J.P.' 'Baud, G.' 'Chevalier, R.' _publ_section_title ; Conducteurs Protonique a l'Ammonium de Type K Sb O3 Cubique ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 487 _journal_page_last 501 _journal_volume 19 _journal_year 1984 _chemical_formula_sum 'H3.4 N0.8 O3 Sb' _chemical_name_systematic 'H (N H3).80 Sb O3' _space_group_IT_number 204 _symmetry_space_group_name_Hall '-I 2 2 3' _symmetry_space_group_name_H-M 'I m -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 12 _cell_length_a 9.551 _cell_length_b 9.551 _cell_length_c 9.551 _cell_volume 871.258 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Hamedi_MRBUAC_1984_1296.cif _cod_data_source_block H3.4N0.8O3Sb1 _cod_original_cell_volume 871.2574 _cod_original_formula_sum 'H3.4 N0.8 O3 Sb1' _cod_database_code 1541754 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,-y,-z -x,y,-z z,x,y -z,-x,y z,-x,-y -z,x,-y y,z,x y,-z,-x -y,z,-x -y,-z,x -x,-y,-z x,y,-z -x,y,z x,-y,z -z,-x,-y z,x,-y -z,x,y z,-x,y -y,-z,-x -y,z,x y,-z,x y,z,-x x+1/2,y+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 z+1/2,x+1/2,y+1/2 -z+1/2,-x+1/2,y+1/2 z+1/2,-x+1/2,-y+1/2 -z+1/2,x+1/2,-y+1/2 y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1/2 -y+1/2,z+1/2,-x+1/2 -y+1/2,-z+1/2,x+1/2 -x+1/2,-y+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 -z+1/2,-x+1/2,-y+1/2 z+1/2,x+1/2,-y+1/2 -z+1/2,x+1/2,y+1/2 z+1/2,-x+1/2,y+1/2 -y+1/2,-z+1/2,-x+1/2 -y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,x+1/2 y+1/2,z+1/2,-x+1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O2 O-2 0 0.3442 0.2916 1 0.0 Sb1 Sb+5 0.84 0 0.5 1 0.0 O1 O-2 0.3656 0 0 1 0.0 N2 N-3 0.1784 0.1784 0.1784 0.25 0.0 N1 N-3 0.1254 0.1254 0.1254 0.35 0.0