#------------------------------------------------------------------------------ #$Date: 2016-01-09 14:34:35 +0200 (Sat, 09 Jan 2016) $ #$Revision: 174107 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542114.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_1542114 loop_ _publ_author_name 'Delmas, C.' 'Werner, P.E.' _publ_section_title ; Powder diffraction studies of the ionic conductor K0.72 (In0.72 Sn0.28) O2 ; _journal_name_full 'Acta Chemica Scandinavica, Series A: (28,1974-)' _journal_page_first 329 _journal_page_last 332 _journal_volume 32 _journal_year 1978 _chemical_formula_sum 'In0.72 K0.72 O2 Sn0.28' _chemical_name_systematic 'K0.72 In0.72 Sn0.28 O2' _space_group_IT_number 187 _symmetry_space_group_name_Hall 'P -6 2' _symmetry_space_group_name_H-M 'P -6 m 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 3.2314 _cell_length_b 3.2314 _cell_length_c 12.82 _cell_volume 115.931 _citation_journal_id_ASTM ACAPCT _cod_data_source_file Delmas_ACAPCT_1978_1580.cif _cod_data_source_block In0.72K0.72O2Sn0.28 _cod_original_cell_volume 115.9311 _cod_database_code 1542114 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+y,-x,-z -y,x-y,z x,y,-z -x+y,-x,z -y,x-y,-z -y,-x,-z -x+y,y,z x,x-y,-z -y,-x,z -x+y,y,-z x,x-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 Sn1 Sn 0.3333 0.6667 0.295 0.28 0.0 K4 K 0.6667 0.3333 0.5 0.486 0.0 O1 O 0.6667 0.3333 0.108 1 0.0 In1 In 0.3333 0.6667 0.239 0.72 0.0 K2 K 0.3333 0.6667 0.5 0.234 0.0 K3 K 0 0 0 0.486 0.0 O2 O 0 0 0.316 1 0.0 K1 K 0.3333 0.6667 0 0.234 0.0