#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/25/1532520.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_1532520
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            'N2 O Si2'
_chemical_name_systematic        'Si2 N2 O'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.13
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   8.049
_cell_length_b                   4.6095
_cell_length_c                   12.606
_cell_volume                     467.705
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kroll_ZAACAB_2003_1077.cif
_cod_data_source_block           N2O1Si2
_cod_original_cell_volume        467.7049
_cod_original_formula_sum        'N2 O1 Si2'
_cod_database_code               1532520
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
O1 O-2 0.0069 0.3412 0.4185 1 0.0
N2 N-3 0.3202 0.3406 0.4169 1 0.0
N3 N-3 0.3376 0.2925 0.0852 1 0.0
O2 O-2 0.5 0.1703 0.25 1 0.0
Si3 Si+4 0.1774 0.4946 0.0194 1 0.0
Si2 Si+4 0.1771 0.4936 0.3136 1 0.0
Si1 Si+4 0.4992 0.4993 0.3529 1 0.0
N1 N-3 0.1485 0.1453 0.252 1 0.0
