#------------------------------------------------------------------------------
#$Date: 2016-11-04 14:26:45 +0200 (Fri, 04 Nov 2016) $
#$Revision: 187811 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/44/1544466.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_1544466
loop_
_publ_author_name
'Banno, H.'
'Asaka, T.'
'Fukuda, K.'
_publ_section_title
;
 Electron density distribution and crystal structure of 27R-SiAlON,
 Si3-xAl6+xOxN10-x (x~1.9)
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              281
_journal_page_last               287
_journal_volume                  122
_journal_year                    2014
_chemical_formula_sum            'Al7.9 N8.1 O1.9 Si1.1'
_chemical_name_common            'Si1.1Al7.9O1.9N8.1 27R-SiAlON'
_space_group_IT_number           194
_space_group_name_H-M_alt        'R -3 m'
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.05991(4)
_cell_length_b                   3.05991(4)
_cell_length_c                   71.454(1)
_cell_volume                     579.395(13)
_cod_data_source_file            27R-SiAlON.cif
_cod_data_source_block           16H-SiAlON
_cod_original_sg_number          166
_cod_original_formula_sum        'Si1.1 Al7.9 O1.9 N8.1'
_cod_database_code               1544466
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-y, x-y, z'
'y, -x+y, -z'
'-x+y, -x, z'
'x-y, x, -z'
'-x, -y, z+1/2'
'x, y, -z+1/2'
'y, -x+y, z+1/2'
'-y, x-y, -z+1/2'
'x-y, x, z+1/2'
'-x+y, -x, -z+1/2'
'y, x, -z'
'-y, -x, z'
'x-y, -y, -z'
'-x+y, y, z'
'-x, -x+y, -z'
'x, x-y, z'
'-y, -x, -z+1/2'
'y, x, z+1/2'
'-x+y, y, -z+1/2'
'x-y, -y, z+1/2'
'x, x-y, -z+1/2'
'-x, -x+y, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
SiAl1 0.1220 0.000000 0.000000 0.000000 Uiso 0.014700 Si
SiAl1 0.8780 0.000000 0.000000 0.000000 Uiso 0.014700 Al
SiAl2 0.1220 0.000000 0.000000 0.29478(4) Uiso 0.006900 Si
SiAl2 0.8780 0.000000 0.000000 0.29478(4) Uiso 0.006900 Al
SiAl3 0.1220 0.000000 0.000000 0.07423(4) Uiso 0.010700 Si
SiAl3 0.8780 0.000000 0.000000 0.07423(4) Uiso 0.010700 Al
SiAl4A 0.0990 0.000000 0.000000 0.22450(7) Uiso 0.010400 Si
SiAl4A 0.7120 0.000000 0.000000 0.22450(7) Uiso 0.010400 Al
SiAl4B 0.0230 0.000000 0.000000 0.2142(3) Uiso 0.010400 Si
SiAl4B 0.1660 0.000000 0.000000 0.2142(3) Uiso 0.010400 Al
SiAl5A 0.0700 0.000000 0.000000 0.14331(9) Uiso 0.010300 Si
SiAl5A 0.5070 0.000000 0.000000 0.14331(9) Uiso 0.010300 Al
SiAl5B 0.0520 0.000000 0.000000 0.1535(1) Uiso 0.010300 Si
SiAl5B 0.3720 0.000000 0.000000 0.1535(1) Uiso 0.010300 Al
ON1 0.1900 0.000000 0.000000 0.31962(8) Uiso 0.028000 O
ON1 0.8100 0.000000 0.000000 0.31962(8) Uiso 0.028000 N
ON2 0.1900 0.000000 0.000000 0.0470(1) Uiso 0.028000 O
ON2 0.8100 0.000000 0.000000 0.0470(1) Uiso 0.028000 N
ON3 0.1900 0.000000 0.000000 0.2513(1) Uiso 0.028000 O
ON3 0.8100 0.000000 0.000000 0.2513(1) Uiso 0.028000 N
ON4 0.1900 0.000000 0.000000 0.11570(9) Uiso 0.028000 O
ON4 0.8100 0.000000 0.000000 0.11570(9) Uiso 0.028000 N
ON5 0.1900 0.000000 0.000000 0.1839(1) Uiso 0.028000 O
ON5 0.8100 0.000000 0.000000 0.1839(1) Uiso 0.028000 N
