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#$Date: 2016-02-20 01:53:41 +0100 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/10/53/2105335.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2105335
loop_
_publ_author_name
'Thomas, J.O.'
'Edstroem, K.'
'Farrington, G.C.'
_publ_section_title
;
 A single-crystal x-ray diffraction study of the ion exchange of Cd2+ into
 Ag+ beta-alumina
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              643
_journal_page_last               650
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ag0.23 Al11 Cd0.495 O17.11'
_chemical_name_systematic
'Silver cadmium aluminium oxide (.2/.5/11/17.1)'
_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            2
_cell_length_a                   5.5896
_cell_length_b                   5.5896
_cell_length_c                   22.434
_cell_volume                     607.014
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            silver0-1_33.cif
_cod_data_source_block           Ag0.23Al11Cd0.495O17.11
_cod_original_cell_volume        607.0142
_cod_database_code               2105335
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
Cd1 Cd+2 0.85596 0.14404 0.25 0.165
O1 O-2 0.50276 0.49724 0.14701 1
O6 O-2 0.15705 0.3141 0.05033 1
O4 O-2 0.8333 0.1667 0.25 0.037
Al4 Al+3 0.3333 0.6667 0.17595 1
Ag1 Ag+1 0.7054 0.2946 0.25 0.077
Al2 Al+3 -0.16798 -0.33596 0.10696 0.963
Al3 Al+3 0.3333 0.6667 0.0248 1
O5 O-2 0.27847 -0.27847 0.25 0.3333
Al5 Al+3 0 0 0 1
Al1 Al+3 -0.1593 -0.3186 0.17657 0.037
O3 O-2 0 0 0.14352 1
O2 O-2 0.6667 0.3333 0.05587 1
