#------------------------------------------------------------------------------ #$Date: 2015-07-06 23:09:37 +0300 (Mon, 06 Jul 2015) $ #$Revision: 140377 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/08/1520828.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_1520828 loop_ _publ_author_name 'Baranov, A.I.' 'Khvorykh, G.V.' 'Troyanov, S.I.' _publ_section_title ; Synthesis and crystal structure of (P Cl4) (Re2 Cl9) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1240 _journal_page_last 1242 _journal_volume 625 _journal_year 1999 _chemical_formula_sum 'Cl13 P Re2' _chemical_name_systematic '(P Cl4) (Re2 Cl9)' _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 99.72 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.616 _cell_length_b 10.449 _cell_length_c 9.397 _cell_volume 833.854 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Baranov_ZAACAB_1999_791.cif _cod_data_source_block Cl13P1Re2 _cod_chemical_formula_sum_orig 'Cl13 P1 Re2' _cod_database_code 1520828 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 Cl9 Cl-1 0.8119 0.1006 0.4169 1 0.0 P1 P+5 0.7414 0.25 0.5066 1 0.0 Cl7 Cl-1 0.8165 0.25 0.7125 1 0.0 Cl3 Cl-1 0.1966 0.25 0.6255 1 0.0 Cl2 Cl-1 0.1459 0.0831 0.9159 1 0.0 Cl6 Cl-1 0.1905 0.0936 0.2707 1 0.0 Re1 Re+4 0.3228 0.25 0.8646 1 0.0 Re2 Re+4 0.1689 0.25 0.0952 1 0.0 Cl1 Cl-1 0.4549 0.25 0.1125 1 0.0 Cl4 Cl-1 0.489 0.0918 0.8169 1 0.0 Cl8 Cl-1 0.5171 0.25 0.4755 1 0.0 Cl5 Cl-1 0.8984 0.25 0.0723 1 0.0