#------------------------------------------------------------------------------
#$Date: 2016-01-01 13:10:55 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172022 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/08/1540860.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_1540860
loop_
_publ_author_name
'van Dijen, F.K.'
'Helmholdt, R.B.'
'Metselaar, R.'
_publ_section_title
;
 Neutron diffraction study of beta' - sialon
;
_journal_name_full               'Journal of Materials Science. Letters'
_journal_page_first              1101
_journal_page_last               1102
_journal_volume                  6
_journal_year                    1987
_chemical_formula_sum            'Al3 N5 O3 Si3'
_chemical_name_systematic        'Si3 Al3 O3 N5'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.6805
_cell_length_b                   7.6805
_cell_length_c                   2.975
_cell_volume                     151.984
_citation_journal_id_ASTM        JMSLD5
_cod_data_source_file            vanDijen_JMSLD5_1987_331.cif
_cod_data_source_block           Al3N5O3Si3
_cod_original_cell_volume        151.9836
_cod_database_code               1540860
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
Al1 Al+3 0.1675 -0.2395 0.25 0.5 0.0
Si1 Si+4 0.1675 -0.2395 0.25 0.5 0.0
N2 N-3 0.3333 0.6667 0.25 0.365 0.0
N1 N-3 0.333 0.0317 0.25 0.712 0.0
O1 O-2 0.333 0.0317 0.25 0.288 0.0
O2 O-2 0.3333 0.6667 0.25 0.635 0.0
