#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/10/53/2105355.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_2105355
loop_
_publ_author_name
'Edstroem, K.'
'Thomas, J.O.'
'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            'Ag1.22 Al11 O17.11'
_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                   5.5914
_cell_length_b                   5.5914
_cell_length_c                   22.43
_cell_volume                     607.297
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            silver1-2_586.cif
_cod_data_source_block           Ag1.22Al11O17.11
_cod_original_cell_volume        607.2969
_cod_database_code               2105355
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 0.02495 1 0.0
Ag2 Ag+1 0.778 0.222 0.25 0.105 0.0
O2 O-2 0.6667 0.3333 0.05536 1 0.0
O5 O-2 0.3333 0.6667 0.25 1 0.0
Ag1 Ag+1 0.70476 0.29524 0.25 0.168 0.0
Al2 Al+3 -0.168 -0.336 0.1065 0.963 0.0
Ag3 Ag+1 0.97628 0.02372 0.25 0.134 0.0
Al4 Al+3 0.3333 0.6667 0.17573 1 0.0
O6 O-2 0.15698 0.31396 0.0502 1 0.0
Al5 Al+3 0 0 0 1 0.0
O3 O-2 0 0 0.14299 1 0.0
O1 O-2 0.50288 0.49712 0.14646 1 0.0
Al1 Al+3 -0.1596 -0.3192 0.17572 0.037 0.0
O4 O-2 0.8333 0.1667 0.25 0.037 0.0
