#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/07/2100729.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_2100729
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 Cd0.225 Na0.77 O17.11'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_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                   5.5906(3)
_cell_length_b                   5.5906(3)
_cell_length_c                   22.519(3)
_cell_volume                     609.53
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.36
_exptl_crystal_density_diffrn    3.34
_exptl_crystal_F_000             598.3
_cod_data_source_file            ab0141.cif
_cod_original_formula_sum        'Na0.77 Cd0.225 Al11 O17.11'
_cod_database_code               2100729
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) -.16765(3) -.33530(3) .106610(10) 0
Al(2) .3333 .6667 .02475(2) 0
Al(3) .3333 .6667 .17577(2) 0
Al(4) 0 0 0 0
O(1) .15728(6) .31456(6) .04983(3) 0
O(2) .50314(7) -.50314(7) .14646(3) 0
O(3) .6667 .3333 .05539(4) 0
O(4) 0 0 .14212(5) 0
O(5) .3333 .6667 .25 0
Al(5) -.1633(7) -.3266(7) .1734(5) 0
O(6) .8333 .1667 .25 0
