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#$Date: 2015-10-09 10:58:21 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161213 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/44/1534457.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_1534457
loop_
_publ_author_name
'Adams, J.M.'
'Haselden, D.A.'
_publ_section_title
;
 The structure of dehydrated zeolite 3A (Si/Al =1.01) by neutron profile
 refinement
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              123
_journal_page_last               131
_journal_volume                  47
_journal_year                    1983
_chemical_formula_sum            'Al95.44 K60 Na35.4 O384 Si96.6'
_chemical_name_systematic        'Na35.4 K60 Al95.44 Si96.6 O384'
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.6
_cell_length_b                   24.6
_cell_length_c                   24.6
_cell_volume                     14886.936
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Adams_JSSCBI_1983_493.cif
_cod_data_source_block           Al95.44K60Na35.4O384Si96.6
_cod_original_cell_volume        14886.94
_cod_database_code               1534457
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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
K2 K+1 0 0.2408 0.219 0.25 0.0
O3 O-2 0.05482 0.0583 0.17389 1 0.0
Al1 Al+3 0 0.18936 0.092 0.9942 0.0
O1 O-2 0 0.11641 0.24698 1 0.0
Na1 Na+1 0.09866 0.09866 0.09866 0.5531 0.0
O2 O-2 0 0.14335 0.14505 1 0.0
K1 K+1 0.11511 0.11511 0.11511 0.4469 0.0
K3 K+1 0.25 0.1275 0.1275 0.0775 0.0
Si1 Si+4 0 0.09322 0.18591 1 0.0
Si2 Si+4 0 0.18936 0.092 0.0058 0.0
