#------------------------------------------------------------------------------
#$Date: 2017-10-16 00:16:12 +0200 (lun 16 de oct de 2017) $
#$Revision: 202026 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/09/1010977.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010977
loop_
_publ_author_name
'Dickinson, R G'
'Friauf, J B'
_publ_section_title
;
The crystal structure of tetragonal lead monoxide
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2457
_journal_page_last               2462
_journal_paper_doi               10.1021/ja01676a015
_journal_volume                  46
_journal_year                    1924
_chemical_compound_source        'synthetic from melt with KOH'
_chemical_formula_structural     'Pb O'
_chemical_formula_sum            'O Pb'
_chemical_name_mineral           Litharge
_chemical_name_systematic        'Lead oxide'
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.99
_cell_length_b                   3.99
_cell_length_c                   5.01
_cell_volume                     79.8
_exptl_crystal_density_meas      9.27
_refine_ls_R_factor_all          0.092
_cod_original_sg_symbol_H-M      'P 4/n m m S'
_cod_database_code               1010977
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2+x,1/2+y,-z
1/2-x,1/2-y,-z
-x,y,z
x,-y,z
1/2-x,1/2+y,-z
1/2+x,1/2-y,-z
-y,x,-z
y,-x,-z
1/2-y,1/2+x,z
1/2+y,1/2-x,z
y,x,-z
-y,-x,-z
1/2+y,1/2+x,z
1/2-y,1/2-x,z
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
_atom_site_calc_flag
Pb1 Pb2+ 2 c 0. 0.5 0.24 1. 0 d
O1 O2- 2 a 0. 0. 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 140169
2 AMCSD 0017894
