#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/10/1511069.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_1511069 loop_ _publ_author_name 'Kniep, R.' 'Kizilyalli, M.' 'Stucky, G.D.' 'Yilmaz, A.' 'Bu Xianhui' _publ_section_title ; Cobalt borate phosphate, Co3 (B P O7), synthesis and characterization ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 281 _journal_page_last 285 _journal_volume 156 _journal_year 2001 _chemical_formula_sum 'B Co3 O7 P' _chemical_name_systematic 'Co3 (B P O7)' _space_group_IT_number 8 _symmetry_space_group_name_Hall 'C -2y' _symmetry_space_group_name_H-M 'C 1 m 1' _cell_angle_alpha 90 _cell_angle_beta 119.749 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.774 _cell_length_b 12.688 _cell_length_c 4.9057 _cell_volume 528.190 _citation_journal_id_ASTM JSSCBI _[local]_cod_data_source_file boron0-1_161.cif _[local]_cod_data_source_block B1Co3O7P1 _[local]_cod_chemical_formula_sum_orig 'B1 Co3 O7 P1' _cod_original_cell_volume 528.1898 _cod_database_code 1511069 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,z x+1/2,y+1/2,z x+1/2,-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 Co2 Co+2 -0.4151 -0.1124 0.4811 1 0.0 O9 O-2 0.2046 -0.2771 -0.1738 1 0.0 P2 P+5 0.4001 0 -0.2091 1 0.0 Co3 Co+2 0.075 -0.1384 0.4334 1 0.0 O7 O-2 -0.3906 -0.2136 0.187 1 0.0 O2 O-2 0.0219 0 -0.4306 1 0.0 O5 O-2 0.4474 0 0.1449 1 0.0 O1 O-2 -0.2403 0 -0.4381 1 0.0 O4 O-2 -0.4554 0 -0.254 1 0.0 P1 P+5 -0.0618 0 -0.2298 1 0.0 O3 O-2 -0.0117 0.1004 -0.0239 1 0.0 O8 O-2 -0.1137 -0.2234 0.3804 1 0.0 O6 O-2 0.3059 0.1013 -0.3615 1 0.0 B1 B+3 -0.2663 -0.2192 0.1321 1 0.0 Co1 Co+2 0.4035 -0.25 -0.2035 1 0.0 _journal_paper_doi 10.1006/jssc.2000.8963