#------------------------------------------------------------------------------ #$Date: 2015-07-06 22:18:15 +0300 (Mon, 06 Jul 2015) $ #$Revision: 140337 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/07/1520793.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_1520793 loop_ _publ_author_name 'Arakcheeva, A.V.' 'Novikova, M.S.' 'Lubman, G.U.' 'Zaitsev, A.I.' _publ_section_title ; Perovskite-like modification of Cs3 Sb2 I9 as a member of the OD family A3 B2 X9 ; _journal_name_full 'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)' _journal_page_first 705 _journal_page_last 715 _journal_volume 40 _journal_year 1999 _chemical_formula_sum 'Cs3 I9 Sb2' _chemical_name_systematic 'Cs3 (Sb2 I9)' _space_group_IT_number 164 _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 8.435 _cell_length_b 8.435 _cell_length_c 10.39 _cell_volume 640.201 _citation_journal_id_ASTM ZSTKAI _cod_data_source_file Arakcheeva_ZSTKAI_1999_933.cif _cod_data_source_block Cs3I9Sb2 _cod_original_cell_volume 640.2011 _cod_database_code 1520793 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z -x,-x+y,-z x-y,-y,-z -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z x,x-y,z -x+y,y,z 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 I2 I-1 0.6646 0.8323 0.3392 1 0.0 Sb1 Sb+3 0.6667 0.3333 0.8096 1 0.0 Cs1 Cs+1 0 0 0 1 0.0 Cs2 Cs+1 0.6667 0.3333 0.3257 1 0.0 I1 I-1 0 0.5 0 1 0.0