#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008023.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_1008023
_chemical_name_systematic          'Sulfur nitride'
_chemical_formula_structural       'S N'
_chemical_formula_sum              'N S'
_publ_section_title
;
Determination of the crystal structure of (S N)~x~ by neutron
diffraction
;
loop_
_publ_author_name
  'Heger, G'
  'Klein, S'
  'Pintschovius, L'
  'Kahlert, H'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    23
_journal_year                      1978
_journal_page_first                341
_journal_page_last                 347
_cell_length_a                     4.11(1)
_cell_length_b                     4.43(1)
_cell_length_c                     7.63(1)
_cell_angle_alpha                  90
_cell_angle_beta                   110.0(5)
_cell_angle_gamma                  90
_cell_volume                       130.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  S3+    3.000
  N3-   -3.000
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
  S1    S3+    4 e 0.175(2) 0.789(2) 0.343(2) 0.90(1)  0 d
  N1    N3-    4 e 0.136(1) 0.432(1) 0.321(1) 0.90(1)  0 d
  N2    N3-    4 e 0.27(1) 0.05(1) 0.37(1) 0.05(1)  0 d
  S2    S3+    4 e 0.27(1) 0.05(1) 0.37(1) 0.05(1)  0 d
  N3    N3-    4 e 0.06(4) 0.76(1) 0.39(2) 0.05(1)  0 d
  S3    S3+    4 e 0.06(4) 0.76(1) 0.39(2) 0.05(1)  0 d
_refine_ls_R_factor_all            0.109