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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001781.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_1001781
_chemical_name_systematic          'Disilicon dinitride oxide'
_chemical_name_mineral             'Sinoite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Si2 N2 O'
_chemical_formula_sum              'N2 O Si2'
_publ_section_title
;
Modifications structurales de l'oxynitrure de silicium sous contraintes
thermiques
;
loop_
_publ_author_name
  'Billy, M'
  'Labbe, J C'
  'Selvaraj, A'
  'Roult, G'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    15
_journal_year                      1980
_journal_page_first                1207
_journal_page_last                 1213
_cell_length_a                     8.884(2)
_cell_length_b                     5.522(1)
_cell_length_c                     4.873(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       239.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C m c 21'
_symmetry_Int_Tables_number        36
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,z'
  '-x,-y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Si4+   4.000
  O2-   -2.000
  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
  Si1   Si4+   8 b 0.181(1) 0.149(3) 0.271(4) 1.  0 d
  O1    O2-    4 a 0. 0.2040(26) 0.23 1.  0 d
  N1    N3-    8 b 0.2198(5) 0.1267(13) 0.626(3) 1.  0 d
_refine_ls_R_factor_all            0.08