#------------------------------------------------------------------------------
#$Date: 2015-09-06 16:02:20 +0300 (Sun, 06 Sep 2015) $
#$Revision: 154822 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529910.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_1529910
loop_
_publ_author_name
'England, W.A.'
'Jacobson, A.J.'
'Tofield, B.C.'
_publ_section_title
;
 Structural studies of highly non-stoichiometric polycrystalline sodium
 and silver beta-aluminas
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              21
_journal_page_last               27
_journal_volume                  6
_journal_year                    1982
_chemical_formula_sum            'Al22 Na2.74 O38'
_chemical_name_systematic        'Na2.74 Al22 O38'
_space_group_IT_number           194
_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            1
_cell_length_a                   5.601
_cell_length_b                   5.601
_cell_length_c                   22.54
_cell_volume                     612.373
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            England_SSIOD3_1982_920.cif
_cod_data_source_block           Al22Na2.74O38
_cod_original_cell_volume        612.3725
_cod_database_code               1529910
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
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-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
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,z
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
Al3 Al+3 0.3333 0.6667 0.1736 1 0.0
O4 O-2 0 0 0.1407 1 0.0
O3 O-2 0.6667 0.3333 0.0559 1 0.0
O1 O-2 0.1574 0.3148 0.0506 1 0.0
Al2 Al+3 0.3333 0.6667 0.0237 1 0.0
O2 O-2 0.5037 0.0074 0.1467 1 0.0
Na2 Na+1 0.617 0.234 0.25 0.23 0.0
Na1 Na+1 0.8996 0.7992 0.25 0.23 0.0
Al4 Al+3 0 0 0 1 0.0
Al1 Al+3 0.832 0.664 0.1077 0.9583 0.0
Al5 Al+3 0.938 0.876 0.1736 0.0417 0.0
O5 O-2 0.3045 0.609 0.25 1 0.0
