#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/62/1536247.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_1536247 loop_ _publ_author_name 'Warkentin, E.' 'Simon, A.' _publ_section_title ; Gd3 Cl3 C, ein metallisches Gadoliniumcarbidhalogenid ; _journal_name_full 'Revue de Chimie Minerale' _journal_page_first 488 _journal_page_last 495 _journal_volume 20 _journal_year 1983 _chemical_formula_sum 'C Cl3 Gd3' _chemical_name_systematic 'Gd3 Cl3 C' _space_group_IT_number 214 _symmetry_space_group_name_Hall 'I 4bd 2c 3' _symmetry_space_group_name_H-M 'I 41 3 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 10.734 _cell_length_b 10.734 _cell_length_c 10.734 _cell_volume 1236.758 _citation_journal_id_ASTM RVCMA8 _cod_data_source_file Warkentin_RVCMA8_1983_336.cif _cod_data_source_block C1Cl3Gd3 _cod_original_formula_sum 'C1 Cl3 Gd3' _cod_database_code 1536247 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/4,x+3/4,z+1/4 -x+1/2,-y,z+1/2 y+1/4,-x+1/4,z+3/4 x,-y,-z+1/2 y+1/4,x+3/4,-z+3/4 -x+1/2,y,-z -y+1/4,-x+1/4,-z+1/4 z,x,y -x+1/4,z+3/4,y+1/4 -z+1/2,-x,y+1/2 x+1/4,-z+1/4,y+3/4 z,-x,-y+1/2 x+1/4,z+3/4,-y+3/4 -z+1/2,x,-y -x+1/4,-z+1/4,-y+1/4 y,z,x y+1/2,-z+1/2,-x z+3/4,y+1/4,-x+1/4 -y,z+1/2,-x+1/2 -z+1/4,-y+1/4,-x+1/4 -y+1/2,-z,x+1/2 z+3/4,-y+3/4,x+1/4 -z+3/4,y+1/4,x+3/4 x+1/2,y+1/2,z+1/2 -y+3/4,x+5/4,z+3/4 -x+1,-y+1/2,z+1 y+3/4,-x+3/4,z+5/4 x+1/2,-y+1/2,-z+1 y+3/4,x+5/4,-z+5/4 -x+1,y+1/2,-z+1/2 -y+3/4,-x+3/4,-z+3/4 z+1/2,x+1/2,y+1/2 -x+3/4,z+5/4,y+3/4 -z+1,-x+1/2,y+1 x+3/4,-z+3/4,y+5/4 z+1/2,-x+1/2,-y+1 x+3/4,z+5/4,-y+5/4 -z+1,x+1/2,-y+1/2 -x+3/4,-z+3/4,-y+3/4 y+1/2,z+1/2,x+1/2 y+1,-z+1,-x+1/2 z+5/4,y+3/4,-x+3/4 -y+1/2,z+1,-x+1 -z+3/4,-y+3/4,-x+3/4 -y+1,-z+1/2,x+1 z+5/4,-y+5/4,x+3/4 -z+5/4,y+3/4,x+5/4 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 C1 C 0.125 0.125 0.125 1 0.0 Cl1 Cl 0.125 0.38409 -0.13409 1 0.0 Gd1 Gd 0.125 0.10849 0.35849 1 0.0