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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/17/1001781.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
loop_
_publ_author_name
'Billy, M'
'Labbe, J C'
'Selvaraj, A'
'Roult, G'
_publ_section_title
;
Modifications structurales de l'oxynitrure de silicium sous contraintes
thermiques
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1207
_journal_page_last               1213
_journal_paper_doi               10.1016/0025-5408(80)90022-7
_journal_volume                  15
_journal_year                    1980
_chemical_compound_source        synthetic
_chemical_formula_structural     'Si2 N2 O'
_chemical_formula_sum            'N2 O Si2'
_chemical_name_mineral           Sinoite
_chemical_name_systematic        'Disilicon dinitride oxide'
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.884(2)
_cell_length_b                   5.522(1)
_cell_length_c                   4.873(1)
_cell_volume                     239.1
_refine_ls_R_factor_all          0.08
_cod_database_code               1001781
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Si4+ 4.000
O2- -2.000
N3- -3.000
