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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/94/9009487.cif $
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#
# 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_9009487
loop_
_publ_author_name
'Merlino, S.'
'Pasero, M.'
'Perchiazzi, N.'
_publ_section_title
;
 Fiedlerite: revised chemical formula Pb3Cl4F(OH)*(H2O), OD
 description and crystal structure refinement of the two MDO polytypes
 Note: 2M_1 polytype
 Locality: Laurion, Greece
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              69
_journal_page_last               78
_journal_volume                  58
_journal_year                    1994
_chemical_formula_sum            'Cl4 F H3 O2 Pb3'
_chemical_name_mineral           Fiedlerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.56
_cell_angle_gamma                90
_cell_length_a                   16.681
_cell_length_b                   8.043
_cell_length_c                   7.281
_cell_volume                     953.480
_exptl_crystal_density_diffrn    5.694
_[local]_cod_chemical_formula_sum_orig 'Pb3 Cl4 F O2 H3'
_cod_database_code               9009487
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,z
1/2-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_U_iso_or_equiv
Pb1 0.18480 0.12590 0.32520 0.01393
Pb2 0.44730 0.12200 0.27410 0.01431
Pb3 0.45100 0.63000 0.25840 0.01355
Cl1 0.09550 0.36200 0.08200 0.01646
Cl2 0.17250 0.36300 0.63700 0.01646
Cl3 0.09820 0.86200 0.09200 0.01393
Cl4 0.17480 0.86800 0.63400 0.01900
F 0.46700 0.60900 0.61200 0.00760
O-H 0.47200 0.10500 0.61300 0.01140
Wat 0.24700 0.61000 0.98700 0.03420
_journal_paper_doi 10.1180/minmag.1994.058.390.07