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: X-ray Diffraction T = 77.6 K ; _database_code_amcsd 0013540 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Pb O' _cell_length_a 3.9645 _cell_length_b 3.9645 _cell_length_c 4.9956 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 78.517 _exptl_crystal_density_diffrn 9.441 _symmetry_space_group_name_H-M 'P 4/n m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' 'y,x,-z' 'y,-x,-z' '1/2-y,1/2+x,z' 'x,-y,z' '1/2-x,1/2+y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2+y,1/2+x,z' '-y,-x,-z' '-y,x,-z' '1/2+y,1/2-x,z' '-x,y,z' '1/2+x,1/2-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_U_iso_or_equiv Pb 0.00000 0.50000 0.23680 0.00507 O 0.00000 0.00000 0.00000 0.00760