#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009843.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_9009843
_chemical_name 'Nealite'
loop_
_publ_author_name
'Pertlik F'
'Schnorrer G'
_journal_name_full "Mineralogy and Petrology"
_journal_volume 48
_journal_year 1993
_journal_page_first 193
_journal_page_last 200
_publ_section_title
;
 A re-appraisal of the chemical formula of nealite, Pb4Fe(AsO3)2Cl4*2H2O,
 on the basis of a crystal structure determination
 Locality: Laurion, Greece
;
_chemical_formula_sum 'Pb4 Fe As2 O8 Cl4 H4'
_cell_length_a 6.548
_cell_length_b 10.243
_cell_length_c 5.587
_cell_angle_alpha 96.2
_cell_angle_beta 89.6
_cell_angle_gamma 97.7
_cell_volume 369.165
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,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   0.20140   0.45190   0.24500 ?
Pb2   0.06890   0.82040   0.28420 ?
Fe   0.50000   0.00000   0.00000 ?
As   0.30590   0.68490   0.78920 ?
O1   0.13100   0.63400   0.53300   0.02700
O2   0.12200   0.64300   0.03900   0.03100
O3   0.27600   0.85600   0.83600   0.04800
Cl1   0.35200   0.36800   0.72300   0.03000
Cl2   0.20300   0.12800   0.17100   0.03400
Wat4   0.46000   0.90200   0.31400   0.04300