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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/1/52/99/1529942.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_1529942
loop_
_publ_author_name
'Forano, C.'
'Slade, R.C.T.'
'Krogh Andersen, I.G.'
'Krogh Andersen, E.'
'Prince, E.'
_publ_section_title
;
 Neutron diffraction determination of full structures of anhydrous Li-X
 and Li-Y zeolites
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              95
_journal_page_last               102
_journal_volume                  82
_journal_year                    1989
_chemical_formula_sum            'Al86 H4.9 Li80.7 Na0.4 O384 Si106'
_chemical_name_systematic        'Li80.7 H4.9 Na0.4 (Al86 Si106 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                   24.6716
_cell_length_b                   24.6716
_cell_length_c                   24.6716
_cell_volume                     15017.303
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Forano_JSSCBI_1989_1841.cif
_cod_data_source_block           H4.9Al86Li80.7Na0.4O384Si106
_cod_original_cell_volume        15017.3
_cod_original_formula_sum        'H4.9 Al86 Li80.7 Na0.4 O384 Si106'
_cod_database_code               1529942
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
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-x,-y,-z
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y,x,z
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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
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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
-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
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z-1/2,-y+1/4,-x-1/4
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y+1/4,-z,x-3/4
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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
O1 O-2 0.1014 0.8986 0 1 0.0
O2 O-2 0.2505 0.2505 0.1518 1 0.0
Si1 Si+4 0.1242 0.9495 0.0378 0.552 0.0
O3 O-2 0.178 0.178 0.9787 1 0.0
Li1 Li+1 0.0462 0.0462 0.0462 0.82 0.0
Li3 Li+1 0.0926 0.0926 0.8932 0.234 0.0
Al1 Al+3 0.1242 0.9495 0.0378 0.448 0.0
Li2 Li+1 0.222 0.222 0.222 1 0.0
O4 O-2 0.1712 0.1712 0.3235 1 0.0
