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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/1/53/84/1538422.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_1538422
loop_
_publ_author_name
'Olson, D. H.'
'Dempsey, E.'
_publ_section_title
;
 The crystal structure of the zeolite hydrogen faujasite
;
_journal_issue                   2
_journal_name_full               'Journal of Catalysis'
_journal_page_first              221
_journal_page_last               231
_journal_paper_doi               10.1016/0021-9517(69)90395-9
_journal_volume                  13
_journal_year                    1969
_chemical_formula_sum            'Al59 H59 O384 Si133'
_chemical_name_systematic        'H59 (Al O2)59 (Si O2)133'
_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                   24.756
_cell_length_b                   24.756
_cell_length_c                   24.756
_cell_volume                     15171.951
_citation_journal_id_ASTM        JCTLA5
_cod_data_source_file            Olson_JCTLA5_1969_1585.cif
_cod_data_source_block           H59Al59O384Si133
_cod_original_cell_volume        15171.95
_cod_original_formula_sum        'H59 Al59 O384 Si133'
_cod_database_code               1538422
loop_
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x,y,z
-y,x+1/4,z+1/4
-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
x,-y+1/4,-z+1/4
y+3/4,x+1/4,-z+1/2
-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
-x,z+1/4,y+1/4
-z+3/4,-x+1/4,y+1/2
x+3/4,-z,y+3/4
z,-x+1/4,-y+1/4
x+3/4,z+1/4,-y+1/2
-z+3/4,x,-y+3/4
-x,-z,-y
y,z,x
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z+1/4,y+3/4,-x+1/2
-y+1/4,z+1/2,-x+3/4
-z,-y+1/2,-x+1/2
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z+1/4,-y,x+1/4
-z+1/2,y+1/4,x+3/4
-x,-y,-z
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-x,y-1/4,z-1/4
-y-3/4,-x-1/4,z-1/2
x-3/4,-y,z-3/4
y,x,z
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x,z,y
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z,y-1/2,x-1/2
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-x,-z+1/2,-y+1/2
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-z+1/2,y+3/4,x+5/4
-x,-y+1/2,-z+1/2
y,-x+1/4,-z+1/4
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-y-3/4,x+1/2,-z-1/4
-x,y+1/4,z+1/4
-y-3/4,-x+1/4,z
x-3/4,-y+1/2,z-1/4
y,x+1/2,z+1/2
-z,-x+1/2,-y+1/2
x,-z+1/4,-y+1/4
z-3/4,x+1/4,-y
-x-3/4,z+1/2,-y-1/4
-z,x+1/4,y+1/4
-x-3/4,-z+1/4,y
z-3/4,-x+1/2,y-1/4
x,z+1/2,y+1/2
-y,-z+1/2,-x+1/2
-y-1/2,z-1/4,x+1/4
-z-1/4,-y-1/4,x
y-1/4,-z,x-1/4
z,y,x
y-1/4,z+1/4,-x+1/2
-z-1/4,y+1/2,-x+1/4
z-1/2,-y+1/4,-x-1/4
x+1/2,y,z+1/2
-y+1/2,x+1/4,z+3/4
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x+5/4,z+1/4,-y+1
-z+5/4,x,-y+5/4
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z+3/4,-y,x+3/4
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z+1/2,y-1/2,x
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z,-y-1/4,-x-1/4
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z-1/4,x+1/4,-y-1/2
-x-1/4,z+1/2,-y-3/4
-z+1/2,x+1/4,y-1/4
-x-1/4,-z+1/4,y-1/2
z-1/4,-x+1/2,y-3/4
x+1/2,z+1/2,y
-y+1/2,-z+1/2,-x
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y+1/4,-z,x-3/4
z+1/2,y,x-1/2
y+1/4,z+1/4,-x
-z+1/4,y+1/2,-x-1/4
z,-y+1/4,-x-3/4
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
O1 O-2 -0.10607 0.10607 0 1 0.0
O4 O-2 0.17547 0.17547 0.3211 1 0.0
O3 O-2 0.17712 0.17712 -0.0331 1 0.0
O2 O-2 -0.0032 -0.0032 0.14224 1 0.0
Al1 Al+3 -0.05339 0.03619 0.12535 0.307 0.0
Si1 Si+4 -0.05339 0.03619 0.12535 0.693 0.0
