#------------------------------------------------------------------------------ #$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: svn://www.crystallography.net/cod/cif/1/00/71/1007137.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_1007137 _chemical_name_systematic 'SILVER COBALT PHOSPHATE' _chemical_formula_structural 'AG CO P O4' _chemical_formula_sum 'Ag Co O4 P' _publ_section_title ; Structure cristalline du monophosphate Ag Co P O~4~100521-Syntheses of Hollandite type Rb~2~ Cr~8~ O~16~, K~2~ Cr~2~ V~6~ O~16~ and K~2~ V~8~ O~16~ ; loop_ _publ_author_name 'Tordjman, I' 'Guitel, J C' 'Durif, A' 'Averbuch, M T' 'Masse, R' _journal_name_full 'Materials Research Bulletin' _journal_coden_ASTM MRBUAC _journal_volume 13 _journal_year 1978 _journal_page_first 983 _journal_page_last 988 _cell_length_a 9.516(2) _cell_length_b 5.547(1) _cell_length_c 6.572(2) _cell_angle_alpha 102.33(17) _cell_angle_beta 106.27(17) _cell_angle_gamma 80.13(17) _cell_volume 323.0 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'P -1' _symmetry_Int_Tables_number 2 _symmetry_cell_setting triclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_type_symbol _atom_type_oxidation_number Ag1+ 1.000 Co2+ 2.000 P5+ 5.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Ag1 Ag1+ 2 i 0.11878(4) 0.33457(7) 0.37342(5) 1. 0 d Ag2 Ag1+ 2 i 0.24864(4) 0.84128(7) 0.47953(5) 1. 0 d Co1 Co2+ 2 i 0.42991(5) 0.21377(8) 0.16703(7) 1. 0 d Co2 Co2+ 2 i 0.21209(5) 0.67798(9) 0.93963(7) 1. 0 d P1 P5+ 2 i 0.4643(1) 0.3216(1) 0.7139(1) 1. 0 d P2 P5+ 2 i 0.0931(1) 0.1809(1) 0.8534(1) 1. 0 d O1 O2- 2 i 0.4426(3) 0.1311(4) 0.8388(4) 1. 0 d O2 O2- 2 i 0.6305(3) 0.3602(5) 0.7769(4) 1. 0 d O3 O2- 2 i 0.4076(3) 0.2364(5) 0.4730(4) 1. 0 d O4 O2- 2 i 0.3879(3) 0.5838(4) 0.7845(4) 1. 0 d O5 O2- 2 i 0.2084(3) 0.1877(6) 0.0713(4) 1. 0 d O6 O2- 2 i -0.0630(3) 0.2394(5) 0.8808(4) 1. 0 d O7 O2- 2 i 0.1144(3) -0.0848(5) 0.7254(4) 1. 0 d O8 O2- 2 i 0.1211(3) 0.3741(4) 0.7339(4) 1. 0 d _refine_ls_R_factor_all 0.038 _cod_database_code 1007137