#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005297.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_9005297
_chemical_name 'Pb2FeCl3(OH)4.H2O'
loop_
_publ_author_name
'Pasero M'
'Perchiazzi N'
'Bigi S'
'Franzini M'
'Merlino S'
_journal_name_full "European Journal of Mineralogy"
_journal_volume 9
_journal_year 1997
_journal_page_first 43
_journal_page_last 51
_publ_section_title
;
 Pb2FeCl3(OH)4.H2O, a newly discovered natural phase from Tuscany,
 Italy: physio-chemical data, crystal structure, and OD character
 Locality: Tuscany, Italy
;
_chemical_formula_sum 'Pb2 Fe Cl3 (O5 H6)'
_cell_length_a 8.033
_cell_length_b 6.253
_cell_length_c 9.221
_cell_angle_alpha 90
_cell_angle_beta 102.98
_cell_angle_gamma 90
_cell_volume 451.339
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Pb1   0.84620   0.21330   0.80840   0.01980
Pb2   0.31810   0.25550   0.81190   0.02270
Fe  -0.00200   0.48400   0.50500   0.01700
Cl1   0.13700   0.22900   0.05800   0.02000
Cl2   0.64900   0.22600   0.06500   0.02200
Cl3   0.46300   0.46500   0.35900   0.03200
O-H1  -0.06300   0.48700   0.29800   0.00100
O-H2   0.05600   0.44200   0.73200   0.02400
O-H3   0.16500   0.71300   0.49500   0.01100
O-H4   0.16900   0.24700   0.51200   0.02200
Wat5   0.43600   0.95000   0.28400   0.05300