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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/1/53/83/1538323.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_1538323
loop_
_publ_author_name
'Maher, P.K.'
'Hunter, F.D.'
'Scherzer, J.'
_publ_section_title
;
 Crystal structures of ultrastable faujasites
;
_journal_name_full               'Advances in Chemistry Series'
_journal_page_first              266
_journal_page_last               278
_journal_volume                  101
_journal_year                    1971
_chemical_formula_sum            'Al52.35 H71.594 Na5.12 O394.88 Si139'
_chemical_name_systematic
'Na5.12 Al52.35 Si139 O362.88 (O H)32 H39.594'
_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                   24.56
_cell_length_b                   24.56
_cell_length_c                   24.56
_cell_volume                     14814.435
_citation_journal_id_ASTM        ADCSAJ
_cod_data_source_file            Maher_ADCSAJ_1971_331.cif
_cod_data_source_block           H71.594Al52.35Na5.12O394.88Si139
_cod_original_cell_volume        14814.43
_cod_original_formula_sum        'H71.594 Al52.35 Na5.12 O394.88 Si139'
_cod_database_code               1538323
loop_
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-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
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-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
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-x,y+1/4,z+1/4
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-z,x+1/4,y+1/4
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x,z+1/2,y+1/2
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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
Al1 Al+3 0.08 0.08 0.08 0.46 0.0
O4 O-2 0.1816 0.1816 0.3216 1 0.0
Si1 Si+4 -0.0529 0.1228 0.0364 0.724 0.0
O5 O-2 0.1618 0.1618 0.1618 1 0.0
O1 O-2 0 0.1136 -0.1136 0.78 0.0
Al2 Al+3 -0.0529 0.1228 0.0364 0.196 0.0
O2 O-2 0.0012 0.0012 0.1447 1 0.0
O3 O-2 0.1743 0.1743 -0.0288 1 0.0
Na1 Na+1 0.5 0.5 0.5 0.32 0.0
