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#$Date: 2016-01-01 13:11:49 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172025 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/08/1540863.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_1540863
loop_
_publ_author_name
'van Dun, J.J.'
'Mortier, W.J.'
_publ_section_title
;
 Influence of the temperature on the cation distribution in dehydrated and
 hydrated SrY zeolites
;
_journal_name_full               Zeolites
_journal_page_first              528
_journal_page_last               534
_journal_volume                  7
_journal_year                    1987
_chemical_formula_sum            'Al55.5 O384 Si136.5 Sr26.56'
_chemical_name_systematic        'Sr26.56 Si136.5 Al55.5 O384'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.8482
_cell_length_b                   24.8482
_cell_length_c                   24.8482
_cell_volume                     15342.100
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            vanDun_ZEOLD3_1987_431.cif
_cod_data_source_block           Al55.5O384Si136.5Sr26.56
_cod_original_cell_volume        15342.1
_cod_database_code               1540863
loop_
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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
Si1 Si+4 0.1252 0.9435 0.0342 0.7109 0.0
Sr2 Sr+2 0.2362 0.2362 0.2362 0.32 0.0
Sr1 Sr+2 0.0627 0.0627 0.0627 0.11 0.0
O3 O-2 0.1757 0.1757 0.9589 1 0.0
O4 O-2 0.1746 0.1746 0.3128 1 0.0
Sr3 Sr+2 0 0 0 0.8 0.0
O1 O-2 0.1102 -0.1102 0 1 0.0
Al1 Al+3 0.1252 0.9435 0.0342 0.2891 0.0
O2 O-2 0.2542 0.2542 0.1357 1 0.0
