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#$Date: 2015-09-18 02:16:15 +0300 (Fri, 18 Sep 2015) $
#$Revision: 157310 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/17/1531757.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_1531757
loop_
_publ_author_name
'Marti, J.'
'Soria, J.'
'Cano, F.H.'
_publ_section_title
;
 Location of the cations in hydrated Na Cu Y zeolite
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              1776
_journal_page_last               1780
_journal_volume                  80
_journal_year                    1976
_chemical_formula_sum            'Cu12.0032 Na21 O50'
_chemical_name_systematic        'H11 Na21 Cu12 (Al56 Si136 O384) (H2 O)250'
_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                   24.7
_cell_length_b                   24.7
_cell_length_c                   24.7
_cell_volume                     15069.223
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Marti_JPCHAX_1976_1382.cif
_cod_data_source_block           Cu12.0032Na21O50
_cod_original_cell_volume        15069.22
_cod_database_code               1531757
loop_
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-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
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-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
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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,z+1/2,-y-1/4
-z,x+1/4,y+1/4
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x,z+1/2,y+1/2
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z,y,x
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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
O2 O-2 0.284 0.284 0.284 0.1813 0.0
Na2 Na+1 0.0757 0.0757 0.0757 0.2188 0.0
Na3 Na+1 0.1818 0.1818 0.2141 0.0729 0.0
Cu2 Cu+2 0.2154 0.2154 0.2154 0.125 0.0
Cu1 Cu+2 0 0 0 0.25 0.0
Cu3 Cu+2 0.1818 0.1818 0.2141 0.0417 0.0
Na1 Na+1 0 0 0 0.4375 0.0
O1 O-2 0.168 0.168 0.168 0.4875 0.0
O3 O-2 0.1818 0.1818 0.2141 0.2979 0.0
