#------------------------------------------------------------------------------ #$Date: 2018-07-15 19:25:25 +0300 (Sun, 15 Jul 2018) $ #$Revision: 209034 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/90/00/5900009.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_5900009 loop_ _publ_author_name 'Bunn, C. W.' _publ_section_title ; The crystal structure of ethylene ; _journal_coden_ASTM TFSOA4 _journal_name_full ; Transactions of the Faraday Society ; _journal_page_first 23 _journal_page_last 25 _journal_paper_doi 10.1039/tf9444000023 _journal_volume 40 _journal_year 1944 _chemical_formula_sum 'C2 H4' _chemical_name_systematic Ethylene _space_group_crystal_system orthorhombic _space_group_IT_number 58 _space_group_name_Hall '-P 2 2n' _space_group_name_H-M_alt 'P n n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.87 _cell_length_b 6.46 _cell_length_c 4.14 _diffrn_ambient_temperature 98 _cod_data_source_file 010_ethylene.cif _cod_data_source_block ethylene _cod_depositor_comments ; Updating space group information and correcting the value of the _cell_length_c data item by changing it from '4.15' to '4.14' after consulting the original publication. Antanas Vaitkus, 2018-07-15 ; _cod_database_code 5900009 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,z 3 x+1/2,-y+1/2,-z+1/2 4 -x+1/2,y+1/2,-z+1/2 5 -x,-y,-z 6 x,y,-z 7 -x+1/2,y+1/2,z+1/2 8 x+1/2,-y+1/2,z+1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_attached_hydrogens C C 4 g 0.11 0.06 0 2