#------------------------------------------------------------------------------
#$Date: 2016-10-27 07:25:26 +0300 (Thu, 27 Oct 2016) $
#$Revision: 187611 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/49/4344913.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_4344913
loop_
_publ_author_name
'Reid, A.F.'
'Ringwood, A.E.'
_publ_section_title
;
 High-pressure NaAlO2, and alpha-NaFeO2 isotype
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              443
_journal_page_last               445
_journal_volume                  7
_journal_year                    1968
_chemical_formula_sum            'Al Na O2'
_chemical_name_common            'NaAlO2 high-pressure form'
_space_group_IT_number           166
_space_group_name_H-M_alt        'R -3 m'
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   2.868(5)
_cell_length_b                   2.868(5)
_cell_length_c                   15.88(1)
_cell_volume                     113.1(3)
_cod_data_source_file            NaAlO2.cif
_cod_data_source_block           NaAlO2
_cod_original_formula_sum        'Na Al O2'
_cod_database_code               4344913
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'
'y, x, -z'
'-y, -x, z'
'x-y, -y, -z'
'-x+y, y, z'
'-x, -x+y, -z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-x+2/3, -y+1/3, -z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-x+1/3, -y+2/3, -z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'x+1/3, x-y+2/3, z+2/3'
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_B_iso_or_equiv
_atom_site_type_symbol
Na 1.0 0.000000 0.000000 0.000000 Biso 1.000000 Na
Al 1.0 0.000000 0.000000 0.500000 Biso 1.000000 Al
O 1.0 0.000000 0.000000 0.228(4) Biso 1.000000 O
