#------------------------------------------------------------------------------
#$Date: 2017-11-18 02:26:23 +0100 (Sat, 18 Nov 2017) $
#$Revision: 203311 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/10/07/2100727.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_2100727
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 Na O17'
_chemical_formula_weight         598.6
_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                   5.5929(4)
_cell_length_b                   5.5929(4)
_cell_length_c                   22.526(4)
_cell_volume                     704.63(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.03
_exptl_crystal_density_diffrn    3.26
_exptl_crystal_F_000             586.6
_cod_data_source_file            ab0141.cif
_cod_data_source_block           ab0141a
_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        610.22
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum        'Na1 Al11 O17'
_cod_database_code               2100727
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na(2) .8970(13) -.8970(13) .25 0
Na(1) .6667 .3333 .25 0
Al(1) -.167980(10) -.335960(10) .10610 0
Al(2) .3333 .6667 .024820(10) 0
Al(3) .3333 .6667 .175760(10) 0
Al(4) 0 0 0 0
O(1) .15712(2) .31424(2) .049980(10) 0
O(2) .50305(2) -.50305(2) .146330(10) 0
O(3) .6667 .3333 .05525(2) 0
O(4) 0 0 .14219(2) 0
O(5) .3333 .6667 .25 0
Al(5) -.01633(7) -.03266(7) .01734(13) 0
O(6) .8333 .1667 .25 0
