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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008963.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_1008963
_chemical_name_systematic          'Disilver iron tetrathiostannate'
_chemical_name_mineral             'Hocartite'
_chemical_compound_source          'from Tacama, Bolivia'
_chemical_formula_structural       'Ag2 Fe (Sn S4)'
_chemical_formula_sum              'Ag2 Fe S4 Sn'
_publ_section_title
;
La hocartite, Ag2 Sn Fe S4, une nouvelle espece minerale
;
loop_
_publ_author_name
  'Caye, R'
  'Laurent, Y'
  'Picot, P'
  'Pierrot, R'
  'Levy, C'
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_coden_ASTM                BUFCAE
_journal_volume                    91
_journal_year                      1968
_journal_page_first                383
_journal_page_last                 387
_cell_length_a                     5.74(3)
_cell_length_b                     5.74(3)
_cell_length_c                     10.96(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       361.1
_cell_formula_units_Z              2
_exptl_crystal_density_meas        4.76
_symmetry_space_group_name_H-M     'I -4 2 m'
_symmetry_Int_Tables_number        121
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,-z'
  'x,-y,-z'
  '-y,x,-z'
  'y,-x,-z'
  'y,x,z'
  '-y,-x,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,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe2+   2.000
  Sn4+   4.000
  Ag1+   1.000
  S2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Fe1   Fe2+   2 a 0. 0. 0. 1.  0 d
  Sn1   Sn4+   2 b 0. 0. 0.5 1.  0 d
  Ag1   Ag1+   4 d 0.5 0. 0.25 1.  0 d
  S1    S2-    8 i 0.245 0.245 0.132 1.  0 d