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#$Date: 2016-01-03 14:06:39 +0200 (Sun, 03 Jan 2016) $
#$Revision: 173279 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/17/1541789.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1541789
loop_
_publ_author_name
'McCusker, L.B.'
'Seff, K.'
_publ_section_title
;
 Migration of framework oxide ions. Crystal structures of fully
 cadmium(II)-exchanged zeolite A evacuated at 600 and 700 C
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2827
_journal_page_last               2831
_journal_volume                  84
_journal_year                    1980
_chemical_formula_sum            'Al12 Cd5.86 H3.4 O49.7 Si12'
_chemical_name_systematic        'Cd5.86 Si12 Al12 O48 (H2 O)1.70'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.258
_cell_length_b                   12.258
_cell_length_c                   12.258
_cell_volume                     1841.869
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            McCusker_JPCHAX_1980_132.cif
_cod_data_source_block           H3.4Al12Cd5.86O49.7Si12
_cod_original_cell_volume        1841.87
_cod_chemical_formula_sum_orig   'H3.4 Al12 Cd5.86 O49.7 Si12'
_cod_database_code               1541789
loop_
_symmetry_equiv_pos_as_xyz
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loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0 0.2943 0.2943 1 0.0
O3 O-2 0.1121 0.1121 0.3268 1 0.0
O1 O-2 0 0.2005 0.5 1 0.0
Si1 Si+4 0 0.1826 0.3684 0.5 0.0
Cd2 Cd+2 0.1948 0.1948 0.1948 0.455 0.0
Al1 Al+3 0 0.1826 0.3684 0.5 0.0
Cd1 Cd+2 0.1552 0.1552 0.1552 0.2775 0.0
O4 O-2 0.0463 0.0463 0.08 0.0708 0.0