#------------------------------------------------------------------------------ #$Date: 2015-09-06 16:00:42 +0300 (Sun, 06 Sep 2015) $ #$Revision: 154811 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/99/1529900.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_1529900 loop_ _publ_author_name 'Elammari, L.' 'Elouadi, B.' 'Depmeier, W.' _publ_section_title ; Crystal structure of Li Pb P O4 with "Li4 O13" cluster ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 266 _journal_page_last 269 _journal_volume 76 _journal_year 1988 _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 7.969 _cell_length_b 18.591 _cell_length_c 4.926 _cell_volume 729.795 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Elammari_JSSCBI_1988_1657.cif _cod_data_source_block Li1O4P1Pb1 _cod_original_cell_volume 729.7952 _cod_chemical_formula_sum_orig 'Li1 O4 P1 Pb1' _cod_database_code 1529900 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 P1 P+5 0.2114 0.6796 0.6924 1 0.0 O6 O-2 -0.4158 0.5331 0.0658 1 0.0 Li2 Li+1 -0.1787 0.652 0.6873 1 0.0 O2 O-2 0.0553 0.646 0.557 1 0.0 O5 O-2 -0.2833 0.5735 0.5062 1 0.0 Li1 Li+1 -0.0094 1.0575 0.1945 1 0.0 O4 O-2 0.3636 0.6347 0.6165 1 0.0 O1 O-2 0.2297 0.7578 0.577 1 0.0 Pb1 Pb+2 0.1742 0.5539 0.25 1 0.0 O7 O-2 -0.1035 0.5264 0.1156 1 0.0 Pb2 Pb+2 0.0299 0.7718 0.2305 1 0.0 P2 P+5 -0.2673 0.5715 0.195 1 0.0 O8 O-2 -0.2474 0.6482 0.0802 1 0.0 O3 O-2 0.1907 0.6825 1 1 0.0