#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010272.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_1010272
_chemical_name_systematic          'Silicon catena-sulfide'
_chemical_formula_structural       'Si S2'
_chemical_formula_sum              'S2 Si'
_publ_section_title
;
Siliciumdisulfid, ein anorganischer Faserstoff mit Kettenmolekuelen.
;
loop_
_publ_author_name
  'Zintl, E'
  'Loosen, K'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische
Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre
;
_journal_coden_ASTM                ZPCAAI
_journal_volume                    174
_journal_year                      1935
_journal_page_first                301
_journal_page_last                 311
_cell_length_a                     5.6
_cell_length_b                     5.53
_cell_length_c                     9.55
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       295.7
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.02
_symmetry_space_group_name_H-M     'I c m a S'
_symmetry_Int_Tables_number        72
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '-x,-y,z'
  'x,-y,-z'
  '-x,1/2-y,-z'
  'x,1/2-y,z'
  'x,1/2+y,-z'
  '-x,1/2+y,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-x,-y,1/2-z'
  '1/2+x,-y,1/2+z'
  '1/2+x,y,1/2-z'
  '1/2-x,y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Si4+   4.000
  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
  Si1   Si4+   4 c 0. 0. 0. 1.  0 d
  S1    S2-    8 j 0.208 0.25 0.119 1.  0 d
_cod_database_code 1010272