#------------------------------------------------------------------------------
#$Date: 2009-11-20 13:07:27 +0200 (Fri, 20 Nov 2009) $
#$Revision: 893 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000613.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_9000613
loop_
_publ_author_name
'Hazen R M'
'Finger L W'
_publ_section_title
;
 The crystal structures and compressibilities of layer minerals at high
 pressure.  I. SnS2, berndtite
 P = 1 atm
;
_journal_name_full               'American Mineralogist'
_journal_page_first              289
_journal_page_last               292
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'S2 Sn'
_chemical_name_mineral           Berndtite
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.638
_cell_length_b                   3.638
_cell_length_c                   5.880
_cell_volume                     67.396
_diffrn_ambient_pressure         100
_[local]_cod_chemical_formula_sum_orig 'Sn S2'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,z
y,-x+y,-z
-x,-x+y,-z
-x+y,-x,z
-x+y,y,z
-x,-y,-z
y,x,-z
-y,x-y,z
x,x-y,z
x-y,x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn 0.00000 0.00000 0.00000 0.01773
S 0.66667 0.33333 -0.25000 0.02280