#------------------------------------------------------------------------------ #$Date: 2015-10-14 19:24:58 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168957 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539876.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_1539876 loop_ _publ_author_name 'Czybulka, A.' 'Pinger, B.' 'Schuster, H.U.' _publ_section_title ; Neue Erdalkali-Gallium-Silicide, -Germanide und -Stannide mit vom Al B2-Typ abgeleiteten Strukturen ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 151 _journal_page_last 157 _journal_volume 579 _journal_year 1989 _chemical_formula_sum 'Ca Ga Si' _chemical_name_systematic 'Ca Ga Si' _space_group_IT_number 191 _symmetry_space_group_name_Hall '-P 6 2' _symmetry_space_group_name_H-M 'P 6/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 4.117 _cell_length_b 4.117 _cell_length_c 4.426 _cell_volume 64.969 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Czybulka_ZAACAB_1989_1267.cif _cod_data_source_block Ca1Ga1Si1 _cod_original_cell_volume 64.96864 _cod_chemical_formula_sum_orig 'Ca1 Ga1 Si1' _cod_database_code 1539876 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 -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 Si1 Si 0.3333 0.6667 0.5 0.5 0.0 Ga1 Ga 0.3333 0.6667 0.5 0.5 0.0 Ca1 Ca 0 0 0 1 0.0