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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/2/10/07/2100733.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_2100733
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 Cd O17.11'
_chemical_formula_weight         680.7
_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                   5.59590(10)
_cell_length_b                   5.59590(10)
_cell_length_c                   22.4580(10)
_cell_volume                     703.25(4)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.54
_exptl_crystal_density_diffrn    3.71
_exptl_crystal_F_000             655.5
_cod_data_source_file            ab0142.cif
_cod_data_source_block           ab0142c
_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        609.53
_cod_original_sg_symbol_H-M      P63/mmc
_cod_original_formula_sum        'Ag1 Cd1 Al11 O17.11'
_cod_database_code               2100733
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ag(1) .7025(4) -.7025(4) .25 0
Ag(2) .7575(17) -.7575(17) .25 0
Ag(3) .9760(2) -.9760(2) .25 0
Cd(B) .8457(4) -.8457(4) .25 0
O(5) .29786(5) -.29786(5) .25 0
Al(1) -.16796(3) -.33592(3) .106650(10) 0
Al(2) .3333 .6667 .02485(2) 0
Al(3) .3333 .6667 .17577(2) 0
Al(4) 0 0 0 0
O(1) .15707(5) .31414(5) .05017(2) 0
O(2) .50269(6) -.50269(6) .14662(2) 0
O(3) .6667 .3333 .05539(4) 0
O(4) 0 0 .14306(4) 0
Al(5) -.1588(7) -.3176(7) .1763(3) 0
O(6) .8333 .1667 .25 0
