#------------------------------------------------------------------------------ #$Date: 2015-07-07 16:15:23 +0300 (Tue, 07 Jul 2015) $ #$Revision: 140863 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/11/1521186.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_1521186 loop_ _publ_author_name 'Huang, F.Q.' 'Ibers, J.A.' _publ_section_title ; Syntheses and structures of the new quaternary rubidium selenides Rb Ln2 Cu Se4 (Ln = Sm, Gd, Dy), Rb1.5 Ln2 Cu2.5 Se5 (Ln = Gd, Dy),and Rb Sm2 Ag3 Se5 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 317 _journal_page_last 322 _journal_volume 151 _journal_year 2000 _chemical_formula_sum 'Cu Gd2 Rb Se4' _chemical_name_systematic 'Rb Gd2 Cu Se4' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.1568 _cell_length_b 14.227 _cell_length_c 14.409 _cell_volume 852.131 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Huang_JSSCBI_2000_1874.cif _cod_data_source_block Cu1Gd2Rb1Se4 _cod_original_cell_volume 852.1309 _cod_chemical_formula_sum_orig 'Cu1 Gd2 Rb1 Se4' _cod_database_code 1521186 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z x+1/2,-y+1/2,z-1/2 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 Rb1 Rb+1 0 0.10992 0.25 1 0.0 Cu1 Cu+1 0 0.83736 0.25 1 0.0 Se3 Se-2 0 0 0 1 0.0 Gd1 Gd+3 0 0.36565 0.06311 1 0.0 Se2 Se-2 0 0.43027 0.25 1 0.0 Se1 Se-2 0 0.26354 0.61072 1 0.0