data_global _amcsd_formula_title 'PbNb2O6' loop_ _publ_author_name 'Labbe P' 'Frey M' 'Allais G' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 29 _journal_year 1973 _journal_page_first 2204 _journal_page_last 2210 _publ_section_title ; Nouvelles donnes structurales sur la variete ferroelectrique du metaniobate de plomb PbNb2O6 _cod_database_code 1001032 ; _database_code_amcsd 0009487 _chemical_formula_sum 'Nb5 Pb2.5 O15' _cell_length_a 17.65 _cell_length_b 17.92 _cell_length_c 3.870 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1224.034 _exptl_crystal_density_diffrn 6.634 _symmetry_space_group_name_H-M 'C m 2 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,y,z' '1/2-x,1/2+y,z' 'x,y,-z' '1/2+x,1/2+y,-z' '-x,y,-z' '1/2-x,1/2+y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb1 0.00000 0.00000 0.00000 1.00000 Nb2 0.00000 0.50040 0.00000 1.00000 Nb3 0.18070 0.10950 0.00000 1.00000 Nb4 0.31800 0.39350 0.00000 1.00000 Nb5 0.39420 0.18020 0.00000 1.00000 Nb6 0.11000 0.31980 0.00000 1.00000 Pb1 0.32780 0.02820 0.50000 1.00000 Pb2 0.00620 0.19700 0.50000 0.50000 Pb3 0.48320 0.34520 0.50000 0.50000 Pb4 0.25490 0.25040 0.50000 0.50000 O1 0.00000 0.00000 0.50000 1.00000 O2 0.00000 0.50000 0.50000 1.00000 O3 0.15100 0.11000 0.50000 1.00000 O4 0.29900 0.39500 0.50000 1.00000 O5 0.40200 0.18200 0.50000 1.00000 O6 0.11900 0.29700 0.50000 1.00000 O7 0.08300 0.09200 0.00000 1.00000 O8 0.13900 0.21300 0.00000 1.00000 O9 0.22100 0.00100 0.00000 1.00000 O10 0.27900 0.13500 0.00000 1.00000 O11 0.41700 0.07300 0.00000 1.00000 O12 0.08100 0.42700 0.00000 1.00000 O13 0.20900 0.33400 0.00000 1.00000 O14 0.33100 0.28100 0.00000 1.00000 O15 0.43300 0.39000 0.00000 1.00000 O16 0.50000 0.23500 0.00000 1.00000 O17 0.00000 0.25200 0.00000 1.00000