#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/12/9011272.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9011272
loop_
_publ_author_name
'Edstrom, K.'
'Thomas, J. O.'
'Farrington, G. C.'
_publ_section_title
;Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+
 beta-alumina Locality: synthetic Note: anisoB's from ICSD Sample: y = .45
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              635
_journal_page_last               643
_journal_paper_doi               10.1107/S0108768191003075
_journal_volume                  47
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al11 Cd0.222 Na0.774 O17.111'
_chemical_name_mineral           Diaoyudaoite
_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_length_a                   5.5906
_cell_length_b                   5.5906
_cell_length_c                   22.519
_cell_formula_units_Z            2
_cell_volume                     609.532
_database_code_amcsd             0009850
_exptl_crystal_density_diffrn    3.342
_cod_original_formula_sum        'Na.774 Cd.222 Al11 O17.111'
_cod_database_code               9011272
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1 0.66667 0.33333 0.25000 0.72300 ?
Na2 0.89702 -0.89702 0.25000 0.01700 ?
CdB 0.78763 -0.78763 0.25000 0.07400 ?
Al1 -0.16765 -0.33530 0.10661 0.96300 0.00460
Al2 0.33333 0.66667 0.02475 1.00000 0.00370
Al3 0.33333 0.66667 0.17577 1.00000 0.00600
Al4 0.00000 0.00000 0.00000 1.00000 0.00400
Al5 -0.16333 -0.32670 0.17345 0.03700 0.00460
O1 0.15728 0.31456 0.04983 1.00000 0.00490
O2 0.50314 0.49686 0.14646 1.00000 0.00590
O3 0.66667 0.33333 0.05539 1.00000 0.00510
O4 0.00000 0.00000 0.14212 1.00000 0.00450
O5 0.33333 0.66667 0.25000 1.00000 ?
O6 0.83333 0.16667 0.25000 0.03700 0.00300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009850
