#------------------------------------------------------------------------------
#$Date: 2015-07-13 07:05:42 +0300 (Mon, 13 Jul 2015) $
#$Revision: 149932 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310483.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_2310483
loop_
_publ_author_name
'Seff, K.'
'Shoemaker, D.P.'
_publ_section_title
;
 The structures of zeolite sorption complexes. I. The structures of
 dehydrated zeolite 5A and its iodine sorption complex
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              162
_journal_page_last               170
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'Al12 Ca4 Na4 O48 Si12'
_chemical_name_systematic        'Ca4 Na4 (Al12 Si12 O48)'
_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                   12.42
_cell_length_b                   12.42
_cell_length_c                   12.42
_cell_volume                     1915.864
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Seff_ACCRA9_1967_1430.cif
_cod_data_source_block           Al12Ca4Na4O48Si12
_cod_original_cell_volume        1915.865
_cod_database_code               2310483
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
-z,-x,-y
x,-z,-y
z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
-z,y,-x
z,-y,-x
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
Ca1 Ca+2 0.1974 0.1974 0.1974 0.5 0.0
O1 O-2 0 0.2136 0.5 1 0.0
O2 O-2 0 0.2804 0.2804 1 0.0
Si1 Si+4 0 0.1825 0.373 0.5 0.0
O3 O-2 0.1115 0.1115 0.338 1 0.0
Al1 Al+3 0 0.1825 0.373 0.5 0.0
Na1 Na+1 0.1598 0.1598 0.1598 0.5 0.0
