#------------------------------------------------------------------------------ #$Date: 2013-05-02 18:30:13 +0300 (Thu, 02 May 2013) $ #$Revision: 84088 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/08/1510813.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_1510813 loop_ _publ_author_name 'Krebs, B.' 'Hammerschmidt, A.' 'Jansen, C.' 'Pruss, T.' 'Kuchinke, J.' 'Kueper, J.' 'Koester, C.' 'Lindemann, A.' 'Doech, M.' _publ_section_title ; Syntheses and crystal structures of Rb2 B2 Se7, Tl2 B2 Se7, Cs3 B3 Se10, and Tl3 B3 Se10: new perseleno-selenoborates with polymeric anionic chains ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 419 _journal_page_last 425 _journal_volume 627 _journal_year 2001 _chemical_formula_sum 'B2 Rb2 Se7' _chemical_name_systematic 'Rb2 (B2 (Se2)3 Se)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-I 2ya' _symmetry_space_group_name_H-M 'I 1 2/a 1' _cell_angle_alpha 90 _cell_angle_beta 107.3 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.414 _cell_length_b 7.314 _cell_length_c 14.092 _cell_volume 1221.614 _citation_journal_id_ASTM ZAACAB _[local]_cod_data_source_file boron_318.cif _[local]_cod_data_source_block B2Rb2Se7 _[local]_cod_cif_authors_sg_Hall '-C 2yc (x+z,y,-x)' _cod_database_code 1510813 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y,-z -x,-y,-z x-1/2,-y,z x+1/2,y+1/2,z+1/2 -x+1,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 x,-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 0.41557 0.7336 0.39537 1 0.0 Se3 Se-1 0.18732 0.48149 0.41835 1 0.0 Se1 Se-1 0.3921 0.20759 0.36793 1 0.0 Se4 Se-1 0.25 0.0465 0.5 1 0.0 Se2 Se-1 0.10765 0.11438 0.27193 1 0.0 B1 B+3 0.2343 0.226 0.3848 1 0.0