#------------------------------------------------------------------------------ #$Date: 2015-07-12 17:07:54 +0300 (Sun, 12 Jul 2015) $ #$Revision: 146677 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/56/1525649.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_1525649 loop_ _publ_author_name 'Belik, A.A.' 'Pokholok, K.V.' 'Malakho, A.P.' 'Khasanov, S.S.' 'Lazoryak, B.I.' _publ_section_title ; Synthesis and structure of phosphates M3 R4 (P O4)6 (M = Cu, Co; R = Fe, Cr, Ga, In) and their interaction with hydrogen ; _journal_name_full 'Zhurnal Neorganicheskoi Khimii' _journal_page_first 1633 _journal_page_last 1648 _journal_volume 45 _journal_year 2000 _chemical_formula_sum 'Co3 Cr4 O24 P6' _chemical_name_systematic 'Co3 Cr4 (P O4)6' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 108.173 _cell_angle_beta 101.808 _cell_angle_gamma 105.329 _cell_formula_units_Z 1 _cell_length_a 7.8561 _cell_length_b 9.235 _cell_length_c 6.2785 _cell_volume 396.379 _citation_journal_id_ASTM ZNOKAQ _cod_data_source_file Belik_ZNOKAQ_2000_841.cif _cod_data_source_block Co3Cr4O24P6 _cod_original_cell_volume 396.3794 _cod_database_code 1525649 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 O12 O-2 -0.074 0.698 0.197 1 0.0 O7 O-2 0.802 -0.075 0.136 1 0.0 O10 O-2 0.76 0.501 0.352 1 0.0 O8 O-2 0.54 0.172 0.136 1 0.0 O9 O-2 0.815 0.354 0 1 0.0 O11 O-2 0.192 -0.054 0.233 1 0.0 Cr1 Cr+3 0.4556 0.1093 0.382 1 0.0 O6 O-2 0.536 0.648 0.063 1 0.0 O3 O-2 0.298 0.474 0.263 1 0.0 O2 O-2 0.548 -0.088 0.317 1 0.0 Co1 Co+2 0 0 0 1 0.0 O4 O-2 0.369 0.276 0.439 1 0.0 P2 P+5 0.242 0.372 0.399 1 0.0 Co2 Co+2 0.8116 0.2918 0.294 1 0.0 O1 O-2 0.026 0.24 0.261 1 0.0 O5 O-2 0.261 0.762 0.445 1 0.0 P1 P+5 0.601 0.839 0.102 1 0.0 P3 P+5 0.146 0.765 0.224 1 0.0 Cr2 Cr+3 0.7192 0.5261 0.054 1 0.0