#------------------------------------------------------------------------------ #$Date: 2013-04-19 23:48:45 +0300 (Fri, 19 Apr 2013) $ #$Revision: 81919 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/91/1509147.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_1509147 loop_ _publ_author_name 'Ruck, M.' _publ_section_title ; Synthese und Kristallstrukturen der quaternaeren Chalkogenidchloride Ag Bi2 S3 Cl und Ag Bi2 Se3 Cl ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1537 _journal_page_last 1540 _journal_volume 628 _journal_year 2002 _chemical_formula_sum 'Ag Bi2 Cl Se3' _chemical_name_systematic 'Ag Bi2 Se3 Cl' _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _cell_angle_alpha 90 _cell_angle_beta 104.17 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.9738 _cell_length_b 4.1067 _cell_length_c 11.135 _cell_volume 353.533 _citation_journal_id_ASTM ZAACAB _[local]_cod_data_source_file silver1-2_100.cif _[local]_cod_data_source_block Ag1Bi2Cl1Se3 _[local]_cod_chemical_formula_sum_orig 'Ag1 Bi2 Cl1 Se3' _cod_original_cell_volume 353.5325 _cod_database_code 1509147 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z -x,-y,-z x,-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 Se3 Se-2 0.04734 0.25 0.1522 1 0.0 Se1 Se-2 0.20156 0.25 0.66381 1 0.0 Cl1 Cl-1 0.5955 0.25 0.8998 1 0.0 Ag1 Ag+1 0.04709 0.25 0.41366 1 0.0 Se2 Se-2 0.69322 0.25 0.587 1 0.0 Bi2 Bi+3 0.53023 0.25 0.3434 1 0.0 Bi1 Bi+3 0.18924 0.25 0.93262 1 0.0