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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/10/1011017.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_1011017
loop_
_publ_author_name
'Goldsztaub, S'
_publ_section_title              'Structure cristalline de la laurionite'
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              702
_journal_page_last               703
_journal_volume                  204
_journal_year                    1937
_chemical_formula_structural     'Pb (O H) Cl'
_chemical_formula_sum            'Cl H O Pb'
_chemical_name_mineral           Laurionite
_chemical_name_systematic        'Lead hydroxide chloride'
_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               1011017
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 0.21 0.1 0.25 1. 0 d
Cl1 Cl1- 4 c 0.63 0.08 0.25 1. 0 d
O1 O2- 4 c 0. -0.155 0.25 1. 1 d
H1 H1+ 4 c -1. -1. -1. 1. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
Cl1- -1.000
O2- -2.000
H1+ 1.000