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#$Date: 2017-11-18 02:37:19 +0100 (Sat, 18 Nov 2017) $
#$Revision: 203313 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/10/07/2100731.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_2100731
loop_
_publ_author_name
'Edstr\"om, K.'
'Thomas, J. O.'
'Farrington, G. C.'
_publ_section_title
;
 A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^
 into Ag^+^ \b-alumina
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              643
_journal_page_last               650
_journal_paper_doi               10.1107/S0108768191003130
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ag Al11 O17.11'
_chemical_formula_weight         702.1
_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                   5.5914(3)
_cell_length_b                   5.5914(3)
_cell_length_c                   22.430(4)
_cell_volume                     701.25(14)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.93
_exptl_crystal_density_diffrn    3.82
_exptl_crystal_F_000             674.4
_cod_data_source_file            ab0142.cif
_cod_data_source_block           ab0142a
_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        607.29
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum        'Ag1 Al11 O17.11'
_cod_database_code               2100731
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ag(1) .7048(2) -.7048(2) .25 .547(5)
Ag(2) .7780(15) -.7780(15) .25 .58(2)
Ag(3) .9763(5) -.9763(5) .25 .655(8)
O(5) .3333 .6667 .25 .91(2)
Al(1) -.16800(3) -.33600(3) .106500(10) 6.3
Al(2) .3333 .6667 .024950(10) 5.1
Al(3) .3333 .6667 .17573(2) 7.4
Al(4) 0 0 0 5.6
O(1) .15699(6) .31398(6) .05020(3) 6.4
O(2) .50288(6) -.50288(6) .14646(3) 7.8
O(3) .6667 .3333 .05536(5) 6.5
O(4) 0 0 .14299(5) 4.7
Al(5) -.1596(7) -.3192(7) .1757(3) 6.3
O(6) .8333 .1667 .25 3.0
