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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009487.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_9009487
_chemical_name 'Fiedlerite'
loop_
_publ_author_name
'Merlino S'
'Pasero M'
'Perchiazzi N'
_journal_name_full "Mineralogical Magazine"
_journal_volume 58
_journal_year 1994
_journal_page_first 69
_journal_page_last 78
_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
;
_chemical_formula_sum 'Pb3 Cl4 F O2 H3'
_cell_length_a 16.681
_cell_length_b 8.043
_cell_length_c 7.281
_cell_angle_alpha 90
_cell_angle_beta 102.56
_cell_angle_gamma 90
_cell_volume 953.480
_symmetry_space_group_name_H-M 'P 1 21/a 1'
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_Uiso_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