#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/66/1536638.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_1536638 loop_ _publ_author_name 'Pocha, R.' 'Tampier, M.' 'Poettgen, R.' 'Mosel, B.D.' 'Hoffmann, R.D.' 'Johrendt, D.' _publ_section_title ; Crystal structures and properties of the thiostannates Eu2 Sn S4 and Sr2 Sn S4 and the selenogermanate gamma-(Sr2 Ge Se4) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1379 _journal_page_last 1384 _journal_volume 629 _journal_year 2003 _chemical_formula_sum 'Ge Se4 Sr2' _chemical_name_systematic 'Sr2 (Ge Se4)' _space_group_IT_number 40 _symmetry_space_group_name_Hall 'A 2 -2a' _symmetry_space_group_name_H-M 'A m a 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.284 _cell_length_b 10.543 _cell_length_c 7.411 _cell_volume 803.532 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Pocha_ZAACAB_2003_984.cif _cod_data_source_block Ge1Se4Sr2 _cod_original_cell_volume 803.5319 _cod_original_formula_sum 'Ge1 Se4 Sr2' _cod_database_code 1536638 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x+1/2,y,z x+1/2,-y,z x,y+1/2,z+1/2 -x,-y+1/2,z+1/2 -x+1/2,y+1/2,z+1/2 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 Se1 Se-2 0.5619 0.2182 0.3579 1 0.0 Sr2 Sr+2 0.25 0.1896 0.5521 1 0.0 Se3 Se-2 0.25 0.4297 0.266 1 0.0 Ge1 Ge+4 0.25 0.2745 0.0377 1 0.0 Se2 Se-2 0.25 0.0762 0.1883 1 0.0 Sr1 Sr+2 0 0 0 1 0.0