#------------------------------------------------------------------------------ #$Date: 2015-10-10 06:25:45 +0300 (Sat, 10 Oct 2015) $ #$Revision: 164687 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/68/1536816.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_1536816 loop_ _publ_author_name 'Range, K.J.' 'Poxleitner, H.' 'Klement, U.' 'Lange, K.G.' _publ_section_title ; A new phase in the Yb-Se system: high pressure synthesis and structure refinement of Yb5 Se7 ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 19 _journal_page_last 22 _journal_volume 157 _journal_year 1990 _chemical_formula_sum 'Se7 Yb5' _chemical_name_systematic 'Yb5 Se7' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 104.77 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 13.074 _cell_length_b 3.9435 _cell_length_c 12.046 _cell_volume 600.538 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Range_JCOMAH_1990_1652.cif _cod_data_source_block Se7Yb5 _cod_original_cell_volume 600.5378 _cod_database_code 1536816 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z x+1/2,y+1/2,z -x+1/2,y+1/2,-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 Yb1 Yb+3 0 0 0 1 0.0 Yb2 Yb+2 0.6947 0 0.80996 1 0.0 Se1 Se-2 0.3425 0 0.9487 1 0.0 Se2 Se-2 0.2597 0 0.6439 1 0.0 Se3 Se-2 0.9646 0 0.2155 1 0.0 Se4 Se-2 0.4931 0 0.4859 0.5 0.0 Yb3 Yb+3 0.88492 0 0.57812 1 0.0