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#$Date: 2016-01-03 12:52:12 +0200 (Sun, 03 Jan 2016) $
#$Revision: 172883 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/15/1541533.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_1541533
loop_
_publ_author_name
'Olson, D.H.'
_publ_section_title
;
 Crystal structure of the zeolite nickel faujasite
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              4366
_journal_page_last               4373
_journal_volume                  72
_journal_year                    1968
_chemical_formula_sum            'Al58.0032 Ni23.84 O391.68 Si133.997'
_chemical_name_systematic        'Ca5 Ni24 Al58 Si134 O384 (H2 O)7.68'
_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                   24.41
_cell_length_b                   24.41
_cell_length_c                   24.41
_cell_volume                     14544.652
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Olson_JPCHAX_1968_759.cif
_cod_data_source_block           Al58.0032Ni23.84O391.68Si133.997
_cod_original_cell_volume        14544.65
_cod_database_code               1541533
loop_
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y+3/4,x+1/4,-z+1/2
-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
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-x,-z,-y
y,z,x
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y,x,z
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-x,y+1/4,z+1/4
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x-3/4,-y+1/2,z-1/4
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-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
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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
O5 O-2 0.161 0.161 0.161 0.06 0.0
Ni2 Ni+2 0.0543 0.0543 0.0543 0.096 0.0
Al1 Al+3 -0.05333 0.03554 0.12268 0.3021 0.0
Si1 Si+4 -0.05333 0.03554 0.12268 0.6979 0.0
Ni1 Ni+2 0 0 0 0.66 0.0
O4 O-2 0.1678 0.1678 0.31574 1 0.0
O2 O-2 -0.00345 -0.00345 0.14528 1 0.0
Ni4 Ni+2 0.2334 0.2334 0.2334 0.199 0.0
Ni3 Ni+2 0.2074 0.2074 0.2074 0.06 0.0
O6 O-2 0.081 0.081 0.081 0.18 0.0
Ni5 Ni+2 0.081 0.081 0.081 0.06 0.0
O3 O-2 0.18759 0.18759 -0.03171 1 0.0
O1 O-2 0.10812 -0.10812 0 1 0.0
