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#$Date: 2017-11-18 03:26:23 +0200 (Sat, 18 Nov 2017) $
#$Revision: 203311 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/07/2100730.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_2100730
loop_
_publ_author_name
'Edström, K.'
'Thomas, J. O.'
'Farrington, G. C.'
_publ_section_title
;
 Structural aspects of the Na⁺ → Cd²⁺ ion-exchange
 process in Na⁺ β-alumina
;
_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_formula_sum            'Al11 Cd0.61 O17.11'
_symmetry_cell_setting           hexagonal
_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                   5.5869(4)
_cell_length_b                   5.5869(4)
_cell_length_c                   22.370(4)
_cell_volume                     698.24(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.11
_exptl_crystal_density_diffrn    3.51
_exptl_crystal_F_000             618.1
_cod_data_source_file            ab0141.cif
_cod_data_source_block           ab0141d
_cod_depositor_comments
;
 Correcting the _cell_angle_gamma data item value by changing it from '90' to
 '120' after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        604.71
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum        'Cd0.61 Al11 O17.11'
_cod_database_code               2100730
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cd(C) .860(4) -.860(4) .25 0
Al(1) -.16795(3) -.33590(3) .107110(10) 0
Al(2) .3333 .6667 .02501(2) 0
Al(3) .3333 .6667 .17632(2) 0
Al(4) 0 0 0 0
O(1) .15714(6) .31428(6) .05028(3) 0
O(2) .50234(6) -.50234(6) .14684(3) 0
O(3) .6667 .3333 .05578(4) 0
O(4) 0 0 .14368(4) 0
O(5) .2774(4) -.2774(4) .25 0
Al(5) -.1602(4) -.3204(4) .1754(3) 0
Cd(D) .8362(11) -.8362(11) .25 0
Cd(E) .736(2) .332(4) .25 0
Cd(F) .798(3) .293(5) .25 0
O(6) .8333 .1667 .25 0
