#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000109.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_9000109
_chemical_name 'Arsenopyrite'
loop_
_publ_author_name
'Morimoto N'
'Clark L A'
_journal_name_full "American Mineralogist"
_journal_volume 46
_journal_year 1961
_journal_page_first 1448
_journal_page_last 1469
_publ_section_title
;
 Arsenopyrite crystal-chemical relations
 From Freiberg, Germany
;
_chemical_formula_sum 'Fe As S'
_cell_length_a 5.744
_cell_length_b 5.675
_cell_length_c 5.785
_cell_angle_alpha 90.0
_cell_angle_beta 112.28
_cell_angle_gamma 90.0
_cell_volume 174.496
_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
Fe1   0.27200   0.00000   0.28900
Fe2   0.27500   0.50200   0.78700
As1   0.15400   0.37100   0.36300
As2   0.15500   0.12900   0.86300
S1   0.34600  -0.37000   0.17500
S2   0.34300  -0.13100   0.67500