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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009499.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_9009499
loop_
_publ_author_name
'Merlino S'
'Pasero M'
'Perchiazzi N'
'Gianfagna A'
_publ_section_title
;
 X-ray and electron diffraction study of penfieldite:
 average structure and multiple cells
 Locality: Etruscan iron slag, Baratti beach, Piombiono, Tuscany, Italy
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              341
_journal_page_last               347
_journal_volume                  59
_journal_year                    1995
_chemical_formula_sum            'Cl3 H O Pb2'
_[local]_cod_chemical_formula_sum_orig 'Pb2 Cl3 O H'
_chemical_name_mineral           Penfieldite
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.393
_cell_length_b                   11.393
_cell_length_c                   4.024
_cell_volume                     452.340
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,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 0.62210 0.53860 0.50000 0.01532
Pb2 0.17430 0.27390 0.00000 0.01456
Cl1 0.85640 0.80590 0.50000 0.01140
Cl2 0.82720 0.53240 0.00000 0.01773
Cl3 0.32120 0.46830 0.50000 0.01646
O-H 0.59000 0.65200 0.00000 0.01267
_cod_database_code 9009499