#------------------------------------------------------------------------------ #$Date: 2015-09-09 11:51:18 +0300 (Wed, 09 Sep 2015) $ #$Revision: 155579 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/04/1530465.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_1530465 loop_ _publ_author_name 'Mullica, D.F.' 'Grossie, D.A.' 'Perkins, H.O.' 'Sales, B.C.' 'Boatner, L.A.' _publ_section_title ; Structure of dichromate-type lead pyrophosphate Pb2 P2 O7 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 371 _journal_page_last 376 _journal_volume 62 _journal_year 1986 _chemical_formula_sum 'O7 P2 Pb2' _chemical_name_systematic 'Pb2 (P2 O7)' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 96.82 _cell_angle_beta 91.14 _cell_angle_gamma 89.64 _cell_formula_units_Z 4 _cell_length_a 6.914 _cell_length_b 6.966 _cell_length_c 12.751 _cell_volume 609.655 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Mullica_JSSCBI_1986_1132.cif _cod_data_source_block O7P2Pb2 _cod_original_cell_volume 609.6545 _cod_database_code 1530465 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 O4 O-2 0.112 0.787 0.485 1 0.0 O6 O-2 0.3 0.855 0.657 1 0.0 Pb2 Pb+2 0.6729 0.2105 0.86 1 0.0 P2 P+5 0.185 0.6976 0.5898 1 0.0 O13 O-2 0.402 0.797 0.955 1 0.0 O12 O-2 0.704 0.854 0.855 1 0.0 O2 O-2 0.391 0.763 0.361 1 0.0 Pb1 Pb+2 0.246 0.2046 0.6498 1 0.0 O7 O-2 0.313 0.525 0.548 1 0.0 O9 O-2 0.919 0.535 0.138 1 0.0 O10 O-2 0.7 0.83 0.155 1 0.0 Pb3 Pb+2 0.091 0.8111 0.8528 1 0.0 O3 O-2 0.305 0.089 0.464 1 0.0 O11 O-2 0.706 0.608 0.987 1 0.0 O1 O-2 0.087 0.92 0.313 1 0.0 O14 O-2 0.525 0.539 0.818 1 0.0 P1 P+5 0.2333 0.8969 0.4 1 0.0 O5 O-2 0.017 0.636 0.641 1 0.0 Pb4 Pb+2 0.6524 0.624 0.6334 1 0.0 P4 P+5 0.5793 0.707 0.8987 1 0.0 O8 O-2 0.992 0.819 0.043 1 0.0 P3 P+5 0.8346 0.6988 0.0859 1 0.0