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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/9/9000306.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_9000306
_chemical_name 'Ferricopiapite'
loop_
_publ_author_name
'Fanfani L'
'Nunzi A'
'Zanazzi P F'
'Zanzari A R'
_journal_name_full "American Mineralogist"
_journal_volume 58
_journal_year 1973
_journal_page_first 314
_journal_page_last 322
_publ_section_title
;
 The copiapite problem: The crystal structure of a ferrian copiapite
;
_chemical_formula_sum 'Fe4.69 S6 O46 H42'
_cell_length_a 7.390
_cell_length_b 18.213
_cell_length_c 7.290
_cell_angle_alpha 93.67
_cell_angle_beta 102.05
_cell_angle_gamma 99.27
_cell_volume 942.181
_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_occupancy
Fe1   0.00000   0.00000   0.00000   0.69000
Fe2   0.78480   0.31350   0.55240   1.00000
Fe3   0.59900   0.67180   0.80580   1.00000
S1   0.83250   0.73980   0.21950   1.00000
S2   0.81700   0.41750   0.21880   1.00000
S3   0.64020   0.19270   0.19530   1.00000
O1   0.73670   0.67500   0.07140   1.00000
O2   0.69300   0.76980   0.29630   1.00000
O3   0.04830   0.29210   0.63220   1.00000
O4   0.05270   0.20220   0.85470   1.00000
O5   0.62010   0.39100   0.10850   1.00000
O6   0.82960   0.48860   0.32080   1.00000
O7   0.87740   0.36260   0.34740   1.00000
O8   0.93500   0.42280   0.08420   1.00000
O9   0.56550   0.11590   0.16870   1.00000
O10   0.50990   0.76370   0.86350   1.00000
O11   0.79210   0.21310   0.09800   1.00000
O12   0.71850   0.21280   0.40530   1.00000
O-H13   0.46260   0.66040   0.54540   1.00000
Wat14   0.68590   0.26990   0.76730   1.00000
Wat15   0.86860   0.41420   0.71380   1.00000
Wat16   0.20760   0.94740   0.06650   1.00000
Wat17   0.69330   0.57400   0.75980   1.00000
Wat18   0.01580   0.98660   0.73380   1.00000
Wat19   0.83010   0.72820   0.73090   1.00000
Wat20   0.17130   0.09260   0.04730   1.00000
Wat21   0.76600   0.91960   0.43810   1.00000
Wat22   0.52800   0.56080   0.27670   1.00000
Wat23   0.63560   0.07430   0.59490   1.00000