#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009513.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_9009513
_chemical_name 'Barstowite'
loop_
_publ_author_name
'Steele I M'
'Pluth J J'
'Stanley C J'
_journal_name_full "Mineralogical Magazine"
_journal_volume 63
_journal_year 1999
_journal_page_first 901
_journal_page_last 907
_publ_section_title
;
 Crystal structure of barstowite (3PbCl2PbCO3H2O)
 Locality: Bounds Cliff, St Endellion, Cornwall
;
_chemical_formula_sum 'Pb4 Cl6 C O4 H2'
_cell_length_a 4.2023
_cell_length_b 9.2020
_cell_length_c 16.6608
_cell_angle_alpha 90
_cell_angle_beta 91.829
_cell_angle_gamma 90
_cell_volume 643.938
_symmetry_space_group_name_H-M 'P 1 21/m 1'
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_Uiso_or_equiv
Pb1   0.26090   0.75000   0.04150   0.02730
Pb2   0.25420   0.75000   0.51160   0.02850
Pb3   0.81000   0.50960   0.26820   0.01890
Cl1   0.28920   0.75000   0.21890   0.01870
Cl2   0.76900   0.53090   0.08790   0.02080
Cl3   0.74430   0.75000   0.39570   0.01950
Cl4   0.76180   0.55020   0.58580   0.02140
C   0.41600   0.25000   0.24570   0.01600
O1   0.67500   0.25000   0.28750   0.02100
O2   0.75300   0.75000  -0.06320   0.01900
O3   0.29300   0.37290   0.22290   0.01800
H   0.74920   0.66400  -0.09690 ?