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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/17/1541790.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_1541790
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 Cd5.8 H4.6 O50.3 Si12'
_chemical_name_systematic        'Cd5.8 Si12 Al12 O48 (H2 O)2.3'
_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                   12.237
_cell_length_b                   12.237
_cell_length_c                   12.237
_cell_volume                     1832.419
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            McCusker_JPCHAX_1980_133.cif
_cod_data_source_block           H4.6Al12Cd5.8O50.3Si12
_cod_original_cell_volume        1832.42
_cod_original_formula_sum        'H4.6 Al12 Cd5.8 O50.3 Si12'
_cod_database_code               1541790
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
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-y,-x,-z
z,x,y
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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
Cd1 Cd+2 0.1545 0.1545 0.1545 0.325 0.0
O4 O-2 0.0463 0.0463 0.08 0.0958 0.0
Cd2 Cd+2 0.1952 0.1952 0.1952 0.4 0.0
Al1 Al+3 0 0.1829 0.368 0.5 0.0
Si1 Si+4 0 0.1829 0.368 0.5 0.0
O1 O-2 0 0.1968 0.5 1 0.0
O3 O-2 0.1121 0.1121 0.3256 1 0.0
O2 O-2 0 0.2957 0.2957 1 0.0