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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/44/4124425.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_4124425
loop_
_publ_author_name
'Firor, R.L.'
'Seff, K.'
_publ_section_title
;
 Zero-coordinate Rb+. The dehydrated and hydrated crystal structures of
 eleven-twelfths rubidium-exchanged zeolite A
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1112
_journal_page_last               1117
_journal_volume                  99
_journal_year                    1977
_chemical_formula_sum            'Al12 Na O48 Rb11 Si12'
_chemical_name_systematic        'Rb11 Na (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                   12.261
_cell_length_b                   12.261
_cell_length_c                   12.261
_cell_volume                     1843.222
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Firor_JACSAT_1977_125.cif
_cod_data_source_block           Al12Na1O48Rb11Si12
_cod_original_formula_sum        'Al12 Na1 O48 Rb11 Si12'
_cod_database_code               4124425
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
Al1 Al+3 0 0.1852 0.3753 0.5 0.0
Rb4 Rb+1 0.1125 0.1125 0.1125 0.125 0.0
Rb2 Rb+1 0 0.5 0.5 1 0.0
Si1 Si+4 0 0.1852 0.3753 0.5 0.0
Rb5 Rb+1 0.1456 0.1456 0.1456 0.125 0.0
Rb3 Rb+1 0.3629 0.3629 0.3629 0.125 0.0
O2 O-2 0 0.2871 0.2871 1 0.0
O3 O-2 0.1122 0.1122 0.353 1 0.0
Na1 Na+1 0.1904 0.1904 0.1904 0.125 0.0
O1 O-2 0 0.2405 0.5 1 0.0
Rb1 Rb+1 0.2514 0.2514 0.2514 0.625 0.0
