data_9012694
_publ_section_title
;Monoxyde quadratique PbO alpha(I): Description de la transition structurale
 ferroelastique Method: Neutron Diffraction T = 2 K Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              343
_journal_page_last               350
_journal_paper_doi               10.1016/0022-4596(85)90197-5
_journal_volume                  57
_journal_year                    1985
_chemical_formula_sum            'O Pb'
_chemical_name_mineral           Litharge
_space_group_IT_number           67
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6124
_cell_length_b                   5.6089
_cell_length_c                   4.9924
_cell_volume                     157.158
_diffrn_ambient_temperature      2
_exptl_crystal_density_diffrn    9.433
_[local]_cod_chemical_formula_sum_orig 'Pb O'
_cod_database_code               9012694
loop_
_symmetry_equiv_pos_as_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_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 0.00911 0.00912 0.00303 0.00000 0.00000 0.00000
O 0.01329 0.01329 0.01126 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb 0.00000 0.25000 0.76420
O 0.25000 0.00000 0.00000
