#------------------------------------------------------------------------------
#$Date: 2017-11-18 02:26:23 +0100 (Sat, 18 Nov 2017) $
#$Revision: 203311 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/10/07/2100728.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_2100728
loop_
_publ_author_name
'Edstr\"om, K.'
'Thomas, J. O.'
'Farrington, G. C.'
_publ_section_title
;
 Structural aspects of the Na^+^ \\rightarrow Cd^2+^ ion-exchange
 process in Na^+^ \b-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 Cd0.11 Na O17.11'
_chemical_formula_weight         592.3
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   P63/mmc
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.5921(9)
_cell_length_b                   5.5921(9)
_cell_length_c                   22.526(7)
_cell_volume                     610.05
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.18
_exptl_crystal_density_diffrn    3.3
_exptl_crystal_F_000             592.3
_cod_data_source_file            ab0141.cif
_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_formula_sum        'Na1 Cd0.11 Al11 O17.11'
_cod_database_code               2100728
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na(1) .6667 .3333 .25 0
Na(2) .8970(13) -.8970(13) .25 0
Cd(B) .788(2) -.788(2) .25 0
Al(1) -.16771(2) -.33542(2) .10643 0
Al(2) .3333 .6667 .02479(2) 0
Al(3) .3333 .6667 .17564(2) 0
Al(4) 0 0 0 0
O(1) .15730(5) .31460(5) .04999(2) 0
O(2) .50311(5) -.50311(5) .14640(2) 0
O(3) .6667 .3333 .05545(4) 0
O(4) 0 0 .14223(4) 0
O(5) .3333 .6667 .25 0
Al(5) -.01636(6) -.03272(6) .1750(3) 0
O(6) .8333 .1667 .25 0
