#------------------------------------------------------------------------------ #$Date: 2015-07-12 00:09:03 +0300 (Sun, 12 Jul 2015) $ #$Revision: 146492 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/12/7221270.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_7221270 loop_ _publ_author_name 'Zabel, M.' 'Range, K.J.' 'Wandinger, S.' _publ_section_title ; Ternaere Chalkogenide M3 M2(II) X2 mit Shandit-Struktur ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) ; _journal_page_first 238 _journal_page_last 241 _journal_volume 34 _journal_year 1979 _chemical_formula_sum 'Co3 In2 S2' _chemical_name_systematic 'Co3 In2 S2' _space_group_IT_number 166 _symmetry_space_group_name_Hall '-P 3* 2' _symmetry_space_group_name_H-M 'R -3 m :R' _cell_angle_alpha 57.89 _cell_angle_beta 57.89 _cell_angle_gamma 57.89 _cell_formula_units_Z 1 _cell_length_a 5.4931 _cell_length_b 5.4931 _cell_length_c 5.4931 _cell_volume 111.527 _citation_journal_id_ASTM ZNBAD2 _cod_data_source_file Zabel_ZNBAD2_1979_175.cif _cod_data_source_block Co3In2S2 _cod_cif_authors_sg_Hall '-R 3 2" (-y+z,x+z,-x+y+z)' _cod_original_cell_volume 111.5266 _cod_database_code 7221270 loop_ _symmetry_equiv_pos_as_xyz x,y,z z,x,y y,z,x -y,-x,-z -z,-y,-x -x,-z,-y -x,-y,-z -z,-x,-y -y,-z,-x y,x,z z,y,x x,z,y 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 In1 In 0 0 0 1 0.0 Co1 Co 0.5 0 0 1 0.0 S1 S 0.279 0.279 0.279 1 0.0 In2 In 0.5 0.5 0.5 1 0.0