#------------------------------------------------------------------------------ #$Date: 2015-10-10 01:28:39 +0300 (Sat, 10 Oct 2015) $ #$Revision: 163658 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/26/7222664.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_7222664 loop_ _publ_author_name 'Eulenberger, G.' _publ_section_title ; Tl4 Ge4 Se10, ein Thallium(1)selenogermanat mit adamantanalogem Anion (Ge4 Se10)(4-) ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) ; _journal_page_first 521 _journal_page_last 523 _journal_volume 36 _journal_year 1981 _chemical_formula_sum 'Ge4 Se10 Tl4' _chemical_name_systematic 'Tl4 Ge4 Se10' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 107.1 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 15.602 _cell_length_b 15.549 _cell_length_c 9.052 _cell_volume 2098.897 _citation_journal_id_ASTM ZNBAD2 _cod_data_source_file Eulenberger_ZNBAD2_1981_1315.cif _cod_data_source_block Ge4Se10Tl4 _cod_database_code 7222664 loop_ _symmetry_equiv_pos_as_xyz 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 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 Se3 Se-2 0.2169 0.4559 0.5798 1 0.0 Tl1 Tl+1 0.17265 0.36946 0.90166 1 0.0 Se2 Se-2 0.4553 0.2156 0.435 1 0.0 Ge1 Ge+4 0.1078 0.3749 0.4118 1 0.0 Ge2 Ge+4 0.4319 0.2974 0.8896 1 0.0 Tl2 Tl+1 0.1386 0.06115 0.6006 1 0.0 Se5 Se-2 0 0.1057 0.25 1 0.0 Se6 Se-2 0 0.4673 0.25 1 0.0 Se4 Se-2 0.1206 0.1211 0.9468 1 0.0 Se1 Se-2 0.1841 0.2863 0.2728 1 0.0