#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/25/1532512.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_1532512
loop_
_publ_author_name
'Kroll, P.'
'Milko, M.'
_publ_section_title
;
 Theoretical investigation of the solid state reaction of silicon nitride
 and silicon dioxide forming silicon oxynitride (Si2 N2 O) under pressure
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1737
_journal_page_last               1750
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.8915
_cell_length_b                   4.8915
_cell_length_c                   5.3885
_cell_volume                     111.656
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kroll_ZAACAB_2003_1064.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        111.6562
_cod_original_formula_sum        'O2 Si1'
_cod_database_code               1532512
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+2/3
-x+y,-x,z+1/3
y,x,-z
-x,-x+y,-z+2/3
x-y,-y,-z+1/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si1 Si+4 0.4677 0 0.6667 1 0.0
O1 O-2 0.4132 0.2708 0.7836 1 0.0
