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 = 30 K
;
_database_code_amcsd 0013537
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb O'
_cell_length_a 5.6112
_cell_length_b 5.6091
_cell_length_c 4.9935
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 157.164
_exptl_crystal_density_diffrn      9.433
_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   0.76400
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 0.00772 0.00771 0.00354 0.00000 0.00000 0.00000
O 0.01113 0.01114 0.00988 0.00000 0.00000 0.00000