data_global
_chemical_name_mineral 'Massicot'
loop_
_publ_author_name
'Hill R J'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 41 
_journal_year 1985
_journal_page_first 1281
_journal_page_last 1284
_publ_section_title
;
 Refinement of the structure of orthorhombic PbO (massicot) by
 Rietveld analysis of neutron powder diffraction data
;
_database_code_amcsd 0010011
_chemical_compound_source 'synthetic: Merck "pro analyse" (batch number 0093820)'
_chemical_formula_sum 'Pb O'
_cell_length_a 5.8931
_cell_length_b 5.4904
_cell_length_c 4.7528
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 153.779
_exptl_crystal_density_diffrn      9.641
_symmetry_space_group_name_H-M 'P b c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,1/2+y,z'
  'x,1/2-y,-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '-x,-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   0.22970  -0.01160   0.25000   0.01355
O  -0.13470   0.09170   0.25000   0.01444
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 0.01513 0.01329 0.01224 -0.00229 0.00000 0.00000
O 0.01619 0.01665 0.01053 -0.00016 0.00000 0.00000