#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007650.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_9007650
_chemical_name 'Troilite'
loop_
_publ_author_name
'King H E'
'Prewitt C T'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 38
_journal_year 1982
_journal_page_first 1877
_journal_page_last 1887
_publ_section_title
;
 High-pressure and high-temperature polymorphism of iron sulfides (FeS)
 Sample: T = 294 K, P = 0.0001 GPa
;
_chemical_formula_sum 'Fe S'
_cell_length_a 5.963
_cell_length_b 5.963
_cell_length_c 11.754
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 361.948
_symmetry_space_group_name_H-M 'P -6 2 c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  '-x+y,-x,1/2-z'
  'y,x,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  'x,y,1/2-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,x-y,1/2-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Fe   0.37870   0.05530   0.12300   0.01251
S1   0.00000   0.00000   0.00000   0.00975
S2   0.33333   0.66667   0.02080   0.00988
S3   0.66480  -0.00410   0.25000   0.01001