#------------------------------------------------------------------------------ #$Date: 2015-07-12 17:07:45 +0300 (Sun, 12 Jul 2015) $ #$Revision: 146676 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/56/1525648.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_1525648 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 Fe4 O24 P6' _chemical_name_systematic 'Co3 Fe4 (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 108.487 _cell_angle_beta 101.518 _cell_angle_gamma 104.666 _cell_formula_units_Z 1 _cell_length_a 7.9096 _cell_length_b 9.2885 _cell_length_c 6.3419 _cell_volume 407.100 _citation_journal_id_ASTM ZNOKAQ _cod_data_source_file Belik_ZNOKAQ_2000_840.cif _cod_data_source_block Co3Fe4O24P6 _cod_original_cell_volume 407.1004 _cod_database_code 1525648 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 O3 O-2 0.28 0.468 0.256 1 0.0 O10 O-2 0.775 0.511 0.369 1 0.0 O6 O-2 0.545 0.647 0.064 1 0.0 Co1 Co+2 0 0 0 1 0.0 Fe2 Fe+3 0.7214 0.5273 0.0461 1 0.0 O7 O-2 0.789 -0.08 0.12 1 0.0 P2 P+5 0.2278 0.3696 0.39 1 0.0 O8 O-2 0.543 0.164 0.122 1 0.0 O2 O-2 0.537 -0.084 0.313 1 0.0 O4 O-2 0.366 0.287 0.453 1 0.0 Co2 Co+2 0.8095 0.2884 0.2876 1 0.0 O11 O-2 0.197 -0.051 0.234 1 0.0 O1 O-2 0.036 0.244 0.271 1 0.0 O9 O-2 0.81 0.347 -0.004 1 0.0 Fe1 Fe+3 0.4526 0.1154 0.3836 1 0.0 O12 O-2 -0.052 0.703 0.211 1 0.0 O5 O-2 0.27 0.78 0.463 1 0.0 P1 P+5 0.5935 0.8313 0.088 1 0.0 P3 P+5 0.1487 0.7686 0.227 1 0.0