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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/4/12/44/4124454.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_4124454
loop_
_publ_author_name
'Pluth, J.J.'
'Smith, J.V.'
_publ_section_title
;
 Crystal structure of dehydrated Sr-exchanged Zeolite A. Absence of
 near-zero-coordinate Sr2+. Presence of Al complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6977
_journal_page_last               6982
_journal_volume                  104
_journal_year                    1982
_chemical_formula_sum            'Al90.884 H2.25 O386 Si101.52 Sr45.44'
_chemical_name_systematic        'Sr45.44 Al90.884 Si101.52 O386 H2.25'
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.68
_cell_length_b                   24.68
_cell_length_c                   24.68
_cell_volume                     15032.647
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Pluth_JACSAT_1982_933.cif
_cod_data_source_block           H2.25Al90.884O386Si101.52Sr45.44
_cod_original_cell_volume        15032.65
_cod_original_formula_sum        'H2.25 Al90.884 O386 Si101.52 Sr45.44'
_cod_database_code               4124454
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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
Sr2 Sr+2 0.0747 0.0747 0.0747 0.14 0.0
Si1 Si+4 0 0.09273 0.1859 0.5287 0.0
O3 O-2 0.05341 0.0574 0.17294 1 0.0
Si2 Si+4 0 0.18847 0.09149 0.5287 0.0
Al3 Al+3 0 0 0 0.05 0.0
O4 O-2 0.0407 0.0407 0.0407 0.03 0.0
Al2 Al+3 0 0.18847 0.09149 0.4713 0.0
Sr1 Sr+2 0.10434 0.10434 0.10434 0.57 0.0
O2 O-2 0 0.13974 0.1416 1 0.0
Al1 Al+3 0 0.09273 0.1859 0.4713 0.0
O1 O-2 0 0.11415 0.24624 1 0.0
