#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/08/2310800.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_2310800 loop_ _publ_author_name 'Collotti, G.' 'Zocchi, M.' 'Conti, L.' _publ_section_title ; The structure of the orthorhombic modification of lead chromate Pb Cr O4 ; _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_page_first 416 _journal_page_last 416 _journal_volume 12 _journal_year 1959 _chemical_formula_sum 'Cr O4 Pb' _chemical_name_systematic 'Pb (Cr O4)' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.67 _cell_length_b 5.59 _cell_length_c 7.13 _cell_volume 345.558 _citation_journal_id_ASTM ACCRA9 _cod_data_source_file Collotti_ACCRA9_1959_1364.cif _cod_data_source_block Cr1O4Pb1 _cod_original_cell_volume 345.5576 _cod_original_formula_sum 'Cr1 O4 Pb1' _cod_database_code 2310800 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-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 O2 O-2 0.93 0.25 0.56 1 0.0 Cr1 Cr+6 0.085 0.25 0.69 1 0.0 Pb1 Pb+2 0.185 0.25 0.165 1 0.0 O1 O-2 0.24 0.25 0.56 1 0.0 O3 O-2 0.085 0.01 0.82 1 0.0