data_global _amcsd_formula_title 'Cs2 Cu N6 O12 Pb' loop_ _publ_author_name 'Klein S' 'Reinen D' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 32 _journal_year 1980 _journal_page_first 311 _journal_page_last 319 _publ_section_title ; The Structure of the Low-Temperature gamma-Modification of Cs2PbCu(NO2)6: A Powder Neutron Diffraction Study at 160 K _cod_database_code 1008094 ; _database_code_amcsd 0016036 _chemical_formula_sum 'Cs2 Pb Cu N6 O12' _cell_length_a 7.734 _cell_length_b 15.531 _cell_length_c 21.376 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90.10 _cell_volume 2567.612 _exptl_crystal_density_diffrn 4.204 _symmetry_space_group_name_H-M 'B 1 1 2/b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2+z' '-x,1/2-y,z' '1/2-x,1/2-y,1/2+z' 'x,1/2+y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs1 0.12500 0.37500 0.12500 1.00000 Cs2 -0.37500 0.87500 0.12500 1.00000 Pb1 0.00000 0.00000 0.25000 0.50000 Pb2 0.50000 0.50000 0.25000 0.50000 Cu1 0.00000 0.00000 0.00000 1.00000 Cu2 0.50000 0.50000 0.00000 1.00000 N1 0.00000 0.00000 0.09690 1.00000 N2 0.50000 0.50000 0.09690 1.00000 N3 0.92800 0.92800 0.00000 1.00000 N4 0.71000 0.71000 0.00000 1.00000 N5 0.89500 0.10500 0.00000 1.00000 N6 0.59640 0.40360 0.00000 1.00000 O1 0.95100 0.04900 0.12510 1.00000 O2 0.04900 0.95100 0.12510 1.00000 O3 0.45100 0.54900 0.12510 1.00000 O4 0.54900 0.45100 0.12510 1.00000 O5 0.25880 0.25880 -0.04980 1.00000 O6 0.25880 0.25880 0.04980 1.00000 O7 0.24120 0.75880 0.04980 1.00000 O8 0.24120 0.75880 -0.04980 1.00000 O9 0.96260 0.22420 0.00000 1.00000 O10 0.77580 0.03740 0.00000 1.00000 O11 0.72420 0.46260 0.00000 1.00000 O12 0.53740 0.72420 0.00000 1.00000