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#$Date: 2017-09-11 16:25:09 +0300 (Mon, 11 Sep 2017) $
#$Revision: 200452 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/10/1011083.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_1011083
loop_
_publ_author_name
'Brasseur, H'
_publ_section_title
;
Etude roentgenographique de la laurionite Pb Cl (O H)
;
_journal_coden_ASTM              BSRSA6
_journal_name_full
;
Bulletin de la Societe Royal des Sciences de Liege
;
_journal_page_first              166
_journal_page_last               169
_journal_volume                  9
_journal_year                    1940
_chemical_formula_structural     'Pb Cl (O H)'
_chemical_formula_sum            'Cl H O Pb'
_chemical_name_mineral           Laurionite
_chemical_name_systematic        'Lead chloride hydroxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.1
_cell_length_b                   9.7
_cell_length_c                   4.05
_cell_volume                     278.9
_exptl_crystal_density_meas      6.24
_cod_original_formula_sum        'H Cl O Pb'
_cod_database_code               1011083
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,y,1/2-z
1/2+x,1/2-y,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+ 4 c 0.204 0.088 0.25 1. 0 d
Cl1 Cl1- 4 c 0.469 -0.185 0.25 1. 0 d
O1 O2- 4 c -0.169 0.125 0.25 1. 1 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
Cl1- -1.000
O2- -2.000