data_global _chemical_name_mineral 'Litharge' loop_ _publ_author_name 'Boher P' 'Garnier P' 'Gavarri J R' 'Hewat A W' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 57 _journal_year 1985 _journal_page_first 343 _journal_page_last 350 _publ_section_title ; Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: Neutron Diffraction T = 300 K ; _database_code_amcsd 0013539 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Pb O' _cell_length_a 5.6253 _cell_length_b 5.6253 _cell_length_c 5.0259 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 159.040 _exptl_crystal_density_diffrn 9.322 _symmetry_space_group_name_H-M 'C m m a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '1/2+x,-y,z' '+x,1/2-y,z' '1/2-x,y,-z' '-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' '1/2+x,y,-z' '+x,1/2+y,-z' '1/2-x,-y,z' '-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 Pb 0.00000 0.25000 0.76550 O 0.25000 0.00000 0.00000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pb 0.01874 0.01874 0.01798 0.00000 0.00000 0.00000 O 0.01836 0.01836 0.03419 0.00000 0.00000 0.00000