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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/1/53/98/1539872.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_1539872
loop_
_publ_author_name
'Czjzek, M.'
'Jobic, H.'
'Fitch, A.N.'
'Vogt, T.'
_publ_section_title
;
 Direct determination of proton positions in D-Y and H-Y zeolite samples
 by neutron powder diffraction
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              1535
_journal_page_last               1540
_journal_volume                  96
_journal_year                    1992
_chemical_formula_sum            'Al56 D75 Na13.93 O399.15 Si136'
_chemical_name_systematic        'Na13.93 D44.7 (Al56 Si136 O384) (D2 O)15.15'
_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                   24.75189
_cell_length_b                   24.75189
_cell_length_c                   24.75189
_cell_volume                     15164.395
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Czjzek_JPCHAX_1992_1552.cif
_cod_data_source_block           D75Al56Na13.93O399.15Si136
_cod_original_cell_volume        15164.4
_cod_original_formula_sum        'D75 Al56 Na13.93 O399.15 Si136'
_cod_database_code               1539872
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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
O2 O-2 -0.00335 -0.00335 0.1431 1 0.0
Al1 Al+3 -0.0536 0.0348 0.1252 0.2917 0.0
O5 O-2 0.0926 0.0926 0.0926 0.3125 0.0
Na1 Na+1 0 0 0 0.3781 0.0
O4 O-2 0.1763 0.1763 0.3207 1 0.0
O3 O-2 0.17713 0.17713 -0.0327 1 0.0
D2 D+1 0.01 0.01 0.178 0.1091 0.0
Si1 Si+4 -0.0536 0.0348 0.1252 0.7083 0.0
D3 D+1 0.1699 0.1699 0.049 0.1761 0.0
O1 O-2 0 -0.10503 0.10503 1 0.0
Na2 Na+1 0.0926 0.0926 0.0926 0.2463 0.0
O6 O-2 0.2363 0.2363 0.2363 0.1609 0.0
D1 D+1 0 -0.1375 0.1375 0.1804 0.0
