#------------------------------------------------------------------------------ #$Date: 2013-04-29 21:28:41 +0300 (Mon, 29 Apr 2013) $ #$Revision: 82453 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/00/2310066.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2310066 loop_ _publ_author_name 'Jost, K.H.' _publ_section_title ; Die Struktur des Silber-Polyphosphats (Ag P O3)x ; _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_page_first 779 _journal_page_last 784 _journal_volume 14 _journal_year 1961 _chemical_formula_sum 'Ag O3 P' _chemical_name_systematic 'Ag (P O3)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 93.5 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 11.86 _cell_length_b 6.06 _cell_length_c 7.31 _cell_volume 524.401 _citation_journal_id_ASTM ACCRA9 _[local]_cod_data_source_file silver1-2_472.cif _[local]_cod_data_source_block Ag1O3P1 _[local]_cod_cif_authors_sg_Hall '-P 2ybc (x-z,y,z)' _[local]_cod_chemical_formula_sum_orig 'Ag1 O3 P1' _cod_original_cell_volume 524.4014 _cod_database_code 2310066 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-z x-1/2,-y-1/2,z-1/2 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 O5 O-2 0.053 0.797 0.088 1 0.0 O4 O-2 0.16 0.47 0.027 1 0.0 O3 O-2 0.125 0.963 0.489 1 0.0 P2 P+5 0.112 0.615 0.18 1 0.0 O6 O-2 0.049 0.479 0.301 1 0.0 Ag1 Ag+1 0.1276 0.336 0.613 1 0.0 P1 P+5 0.226 0.825 0.486 1 0.0 O2 O-2 0.224 0.695 0.298 1 0.0 Ag2 Ag+1 0.0305 0.897 0.77 1 0.0 O1 O-2 0.247 0.669 0.634 1 0.0