#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000066.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_9000066
loop_
_publ_author_name
'Buerger M J'
'Hahn T'
_publ_section_title
;
 The crystal structure of berthierite, FeSb2S4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              226
_journal_page_last               238
_journal_volume                  40
_journal_year                    1955
_chemical_formula_sum            'Fe S4 Sb2'
_[local]_cod_chemical_formula_sum_orig 'Sb2 Fe S4'
_chemical_name_mineral           Berthierite
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.44
_cell_length_b                   14.12
_cell_length_c                   3.76
_cell_volume                     607.363
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-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
Sb1 0.14500 0.06200 0.25000
Sb2 0.03700 0.38600 0.75000
Fe 0.31600 0.33400 0.25000
S1 0.19500 0.27200 0.75000
S2 0.42400 0.18400 0.25000
S3 0.22600 0.49200 0.25000
S4 0.45100 0.40500 0.75000