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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/1/00/12/1001239.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_1001239
loop_
_publ_author_name
'Billy, M'
'Labbe, J C'
'Selvaraj, A'
'Roult, G'
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-alpha'
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   7.7660(2)
_cell_length_b                   7.7660(2)
_cell_length_c                   5.6297(3)
_cell_volume                     294.0
_cod_database_code               1001239
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
y,x,1/2+z
x-y,-y,1/2+z
-x,y-x,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
N1 N3- 2 a 0. 0. 0.5 1. 0 d
N2 N3- 2 b 0.3333 0.6667 0.63 1. 0 d
N3 N3- 6 c 0.653 0.6115 0.4525 1. 0 d
N4 N3- 6 c 0.316 0.3191 0.7205 1. 0 d
Si1 Si4+ 6 c 0.0781 0.5071 0.6764 1. 0 d
Si2 Si4+ 6 c 0.253 0.1679 0.46 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
N3- -3.000
Si4+ 4.000
