#------------------------------------------------------------------------------
#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/52/9005297.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9005297
loop_
_publ_author_name
'Pasero, M.'
'Perchiazzi, N.'
'Bigi, S.'
'Franzini, M.'
'Merlino, S.'
_publ_section_title
;
 Pb2FeCl3(OH)4.H2O, a newly discovered natural phase from Tuscany,
 Italy: physio-chemical data, crystal structure, and OD character
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              43
_journal_page_last               51
_journal_volume                  9
_journal_year                    1997
_chemical_compound_source        'Tuscany, Italy'
_chemical_formula_structural     Pb2FeCl3(OH)4.H2O
_chemical_formula_sum            'Cl3 Fe H6 O5 Pb2'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.98
_cell_angle_gamma                90
_cell_length_a                   8.033
_cell_length_b                   6.253
_cell_length_c                   9.221
_cell_volume                     451.339
_database_code_amcsd             0006643
_exptl_crystal_density_diffrn    4.876
_cod_original_formula_sum        'Pb2 Fe Cl3 (O5 H6)'
_cod_database_code               9005297
_amcsd_formula_title             Pb2FeCl3(OH)4.H2O
loop_
_space_group_symop_operation_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_U_iso_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