#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/16/1511626.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_1511626 loop_ _publ_author_name 'Mikhalenko, S.I.' 'Chaban, N.F.' 'Kuz'ma, Yu.B.' _publ_section_title ; New compounds with the Y Cr B4 structure ; _journal_name_full 'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy' _journal_page_first 44 _journal_page_last 48 _journal_volume 32 _journal_year 1996 _chemical_formula_sum 'B4 Ce Re' _chemical_name_systematic 'Ce Re B4' _space_group_IT_number 55 _symmetry_space_group_name_Hall '-P 2 2ab' _symmetry_space_group_name_H-M 'P b a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.013 _cell_length_b 11.619 _cell_length_c 3.626 _cell_volume 253.331 _citation_journal_id_ASTM IVNMAW _cod_data_source_file boron4-x_28.cif _cod_data_source_block B4Ce1Re1 _cod_original_cell_volume 253.3307 _cod_original_formula_sum 'B4 Ce1 Re1' _cod_database_code 1511626 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z -x,-y,-z x,y,-z -x-1/2,y-1/2,z x-1/2,-y-1/2,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 B3 B-1 0.111 0.545 0.5 1 0.0 B2 B-1 0.132 0.969 0.5 1 0.0 B4 B-1 0.984 0.311 0.5 1 0.0 B1 B-1 0.219 0.816 0.5 1 0.0 Ce1 Ce+3 0.1253 0.1505 0 1 0.0 Re1 Re+3 0.1307 0.4136 0 1 0.0