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