#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/07/1510798.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_1510798 loop_ _publ_author_name 'Al'-Ama, A.G.' 'Stefanovich, S.Yu.' 'Belokoneva, E.L.' 'Kurazhkovskaya, V.S.' 'Dimitrova, O.V.' 'Kabalov, Yu.K.' _publ_section_title ; New oxygen- and lead-deficient lead borate Pb(I)0.9 Pb(II)0.6 (B O2.25)2 = 2 Pb0.75 (B O2.25) and its relation to aragonite and calcite structures ; _journal_name_full Kristallografiya _journal_page_first 24 _journal_page_last 29 _journal_volume 47 _journal_year 2002 _chemical_formula_sum 'B2 O4.5 Pb1.5' _chemical_name_systematic 'Pb1.5 (B O2.25)2' _space_group_IT_number 149 _symmetry_space_group_name_Hall 'P 3 2' _symmetry_space_group_name_H-M 'P 3 1 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 4.9253 _cell_length_b 4.9253 _cell_length_c 6.3884 _cell_volume 134.211 _citation_journal_id_ASTM KRISAJ _cod_data_source_file boron_300.cif _cod_data_source_block B2O4.5Pb1.5 _cod_database_code 1510798 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -y,-x,-z x,x-y,-z -x+y,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 Pb1 Pb+2 0 0 0 0.8946 0.0 B1 B+3 0.3333 0.6667 0.265 1 0.0 Pb2 Pb+2 0.6667 0.3333 0.472 0.2979 0.0 O1 O-2 0.07 0.68 0.264 0.75 0.0