#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009455.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_9009455
loop_
_publ_author_name
'Finney J J'
'Graeber E J'
'Rosenzweig A'
'Hamilton R D'
_publ_section_title
;
 The structure of chloroxiphite, Pb3CuO2(OH)2Cl2
 Locality: Mendip Hills, Somerset, England
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              357
_journal_page_last               361
_journal_volume                  41
_journal_year                    1977
_chemical_formula_sum            'Cl2 Cu H2 O4 Pb3'
_[local]_cod_chemical_formula_sum_orig 'Pb3 Cu O4 Cl2 H2'
_chemical_name_mineral           Chloroxiphite
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.79
_cell_angle_gamma                90
_cell_length_a                   10.458
_cell_length_b                   5.750
_cell_length_c                   6.693
_cell_volume                     398.759
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-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
Pb1 0.21670 0.25000 0.46060 0.01811
Pb2 0.55020 0.25000 0.34320 0.01697
Pb3 0.67410 0.25000 0.86730 0.01710
Cu 0.00000 0.00000 0.00000 0.02039
O1 0.36600 0.00000 0.38600 0.01672
O-H1 0.90700 0.25000 0.83200 0.01735
O-H2 0.12600 0.25000 0.08600 0.02178
Cl1 0.37800 0.25000 0.86800 0.02128
Cl2 0.88600 0.25000 0.32100 0.03090