#------------------------------------------------------------------------------ #$Date: 2015-10-14 17:04:38 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168589 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/42/8104289.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_8104289 loop_ _publ_author_name 'Bagieu-Beucher, M.' 'Masse, R.' _publ_section_title ; Structure determination of a lead-lithium monophosphate, Li Pb P O4 ; _journal_name_full 'Zeitschrift fuer Kristallographie (149,1979-)' _journal_page_first 5 _journal_page_last 10 _journal_volume 188 _journal_year 1989 _chemical_formula_sum 'Li O4 P Pb' _chemical_name_systematic 'Li Pb (P O4)' _space_group_IT_number 33 _symmetry_space_group_name_Hall 'P 2c -2n' _symmetry_space_group_name_H-M 'P n a 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 7.945 _cell_length_b 18.46 _cell_length_c 4.928 _cell_volume 722.764 _citation_journal_id_ASTM ZEKRDZ _cod_data_source_file Bagieu-Beucher_ZEKRDZ_1989_375.cif _cod_data_source_block Li1O4P1Pb1 _cod_original_cell_volume 722.7636 _cod_chemical_formula_sum_orig 'Li1 O4 P1 Pb1' _cod_database_code 8104289 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-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 Pb2 Pb+2 0.97041 0.22837 -0.0182 1 0.0 O2 O-2 0.106 0.4723 0.864 1 0.0 P1 P+5 0.2664 0.4284 -0.0538 1 0.0 Li2 Li+1 0.489 0.445 0.443 1 0.0 O3 O-2 0.285 0.4269 0.263 1 0.0 Pb1 Pb+2 0.82585 0.44626 0 1 0.0 O1 O-2 0.918 0.0346 0.819 1 0.0 P2 P+5 0.2873 0.1797 0.4434 1 0.0 O5 O-2 0.307 0.1841 0.747 1 0.0 O6 O-2 0.769 0.2438 0.326 1 0.0 O4 O-2 0.746 0.1483 0.841 1 0.0 Li1 Li+1 0.686 0.15 0.431 1 0.0 O7 O-2 0.14 0.1337 0.37 1 0.0 O8 O-2 0.444 0.1467 0.312 1 0.0