#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008045.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008045
loop_
_publ_author_name
'Brockway, L. O.'
_publ_section_title
;
 The crystal structure of stannite, Cu2FeSnS4
 Locality: Oruro, Bolivia
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              434
_journal_page_last               441
_journal_volume                  89
_journal_year                    1934
_chemical_formula_sum            'Cu2 Fe S4 Sn'
_chemical_name_mineral           Stannite
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.46
_cell_length_b                   5.46
_cell_length_c                   10.725
_cell_formula_units_Z            2
_cell_volume                     319.729
_exptl_crystal_density_diffrn    4.466
_cod_original_formula_sum        'Cu2 Fe Sn S4'
_cod_database_code               9008045
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
x,-y,-z
1/2+x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu 0.50000 0.00000 0.25000
Fe 0.00000 0.00000 0.00000
Sn 0.00000 0.00000 0.50000
S 0.24500 0.24500 0.13200
_cod_duplicate_entry 1011151
