#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/76/1527600.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_1527600 loop_ _publ_author_name 'Johnsson, T.' _publ_section_title ; The crystal structure of Mo8 P5 from twin-crystal data ; _journal_name_full 'Acta Chemica Scandinavica (1-27,1973-42,1988)' _journal_page_first 365 _journal_page_last 382 _journal_volume 26 _journal_year 1972 _chemical_formula_sum 'Mo8 P5' _space_group_IT_number 6 _symmetry_space_group_name_Hall 'P -2y' _symmetry_space_group_name_H-M 'P 1 m 1' _cell_angle_alpha 90 _cell_angle_beta 109.592 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 9.3992 _cell_length_b 3.2088 _cell_length_c 6.5369 _cell_volume 185.740 _citation_journal_id_ASTM ACSAA4 _cod_data_source_file Johnsson_ACSAA4_1972_1216.cif _cod_data_source_block Mo8P5 _cod_original_cell_volume 185.7395 _cod_database_code 1527600 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,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 Mo8 Mo+1 0.4977 0.5 0.1232 1 0.0 P4 P-3 0.3716 0.5 0.6553 1 0.0 Mo7 Mo+1 0.7805 0.5 0.6113 1 0.0 Mo5 Mo+1 0.5706 0 0.7939 1 0.0 P5 P-3 0.7858 0.5 0.9813 1 0.0 Mo6 Mo+1 0.0529 0.5 0.3937 1 0.0 P2 P-3 0.9856 0 0.6236 1 0.0 Mo4 Mo+1 0.3061 0 0.3569 1 0.0 Mo2 Mo+1 0.7806 0 0.239 1 0.0 Mo3 Mo+1 0.2468 0 0.7931 1 0.0 P1 P-3 0.5831 0 0.4301 1 0.0 P3 P-3 0.209 0.5 0.0659 1 0.0 Mo1 Mo+1 0 0 0 1 0.0