data_15466-ICSD
#©2011 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                15466
_audit_creation_date               1986/09/24
_audit_update_record               2006/04/01
_chemical_name_systematic          'Lead Oxide'
_chemical_formula_structural       'Pb O'
_chemical_formula_sum              'O1 Pb1'
_chemical_name_mineral             Litharge
_publ_section_title
;
On the crystal structure of tetragonal (red) Pb O
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica (1,1948-23,1967)' 1961 14 1304 1304 ACCRA9
2 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
_publ_author_name                  'Leciejewicz, J.'
_cell_length_a                     3.96(1)
_cell_length_b                     3.96(1)
_cell_length_c                     5.01(1)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       78.56
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 4/n m m Z'
_symmetry_Int_Tables_number        129
_refine_ls_R_factor_all            0.092
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'y+1/2, x+1/2, -z'
  2	'-y, x+1/2, -z'
  3	'y+1/2, -x, -z'
  4	'-y, -x, -z'
  5	'x+1/2, y+1/2, -z'
  6	'-x, y+1/2, -z'
  7	'x+1/2, -y, -z'
  8	'-x, -y, -z'
  9	'-y+1/2, -x+1/2, z'
 10	'y, -x+1/2, z'
 11	'-y+1/2, x, z'
 12	'y, x, z'
 13	'-x+1/2, -y+1/2, z'
 14	'x, -y+1/2, z'
 15	'-x+1/2, y, z'
 16	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2-	-2
Pb2+	2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Pb1 Pb2+ 2 c 0.25 0.25 0.237(2) 1. 0 
O1 O2- 2 a 0.75 0.25 0 1. 0 

#End of data_15466-ICSD


