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#$Date: 2015-07-11 22:45:49 +0300 (Sat, 11 Jul 2015) $
#$Revision: 145955 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/50/1525062.cif $
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#
# 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_1525062
loop_
_publ_author_name
'Pearce, J.P.'
'Mortier, W.J.'
_publ_section_title
;
 Crystallographic study of the distribution of chromium cations in X and Y
 zeolites
;
_journal_name_full
'Journal of the Chemical Society. Faraday Transactions 1.'
_journal_page_first              1935
_journal_page_last               1944
_journal_volume                  77
_journal_year                    1981
_chemical_formula_sum
'Al86.016 Cr4.192 Na54.016 O396.192 Si105.984'
_chemical_name_systematic        'Cr4.2 Na74 (Al O2)86 (Si O2)106 (H2 O)230'
_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                   25.05199
_cell_length_b                   25.05199
_cell_length_c                   25.05199
_cell_volume                     15722.684
_citation_journal_id_ASTM        JCFTAR
_cod_data_source_file            Pearce_JCFTAR_1981_534.cif
_cod_data_source_block           Al86.016Cr4.192Na54.016O396.192Si105.984
_cod_original_cell_volume        15722.69
_cod_database_code               1525062
loop_
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-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
x,-y+1/4,-z+1/4
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-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
y,x+1/2,z+1/2
-z,-x+1/2,-y+1/2
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-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
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y-1/4,-z,x-1/4
z,y,x
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x+1/2,y,z+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
O3 O-2 0.177 0.177 0.973 1 0.0
Si1 Si+4 0.1222 0.9473 0.0355 0.552 0.0
O1 O-2 0.109 -0.109 0 1 0.0
O5 O-2 0.178 0.178 0.178 0.381 0.0
Al1 Al+3 0.1222 0.9473 0.0355 0.448 0.0
Na2 Na+1 0.232 0.232 0.232 1 0.0
Cr1 Cr+2 0.037 0.037 0.037 0.131 0.0
O4 O-2 0.177 0.177 0.316 1 0.0
Na1 Na+1 0.052 0.052 0.052 0.688 0.0
O2 O-2 0.251 0.251 0.141 1 0.0
