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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/1/53/95/1539573.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_1539573
loop_
_publ_author_name
'Anderson, A.A.'
'Shepelev, Yu.F.'
'Smolin, Yu.I.'
_publ_section_title
;
 Structural study of Mg-exchanged NaX and CaX zeolites in hydrated (25oC)
 and dehydrated (400oC) states
;
_journal_name_full               Zeolites
_journal_page_first              32
_journal_page_last               37
_journal_volume                  10
_journal_year                    1990
_chemical_formula_sum            'Al92 H212.48 Mg19.2 Na26.88 O490.24 Si100'
_chemical_name_systematic
'Mg19.2 Na26.88 (Al92 Si100 O384) (H2 O)106.24'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   25.06
_cell_length_b                   25.06
_cell_length_c                   25.06
_cell_volume                     15737.770
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            Anderson_ZEOLD3_1990_1378.cif
_cod_data_source_block           H212.48Al92Mg19.2Na26.88O490.24Si100
_cod_original_cell_volume        15737.77
_cod_original_formula_sum        'H212.48 Al92 Mg19.2 Na26.88 O490.24 Si100'
_cod_database_code               1539573
loop_
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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
Si2 Si+4 -0.0536 0.037 0.1236 0.0417 0.0
Na3 Na+1 0.232 0.232 0.232 0.22 0.0
O10 O-2 0.105 0.17 0.442 0.31 0.0
Mg2 Mg+2 0.213 0.213 0.213 0.13 0.0
Mg3 Mg+2 0.783 0.096 0.331 0.08 0.0
O8 O-2 0.01 0.003 0.386 0.17 0.0
O4 O-2 -0.0719 0.0751 0.1774 1 0.0
Na2 Na+1 0.0706 0.0706 0.0706 0.29 0.0
O6 O-2 0.2631 0.2631 0.2631 0.52 0.0
O9 O-2 0.023 0.028 0.404 0.13 0.0
Mg1 Mg+2 0.06 0.06 0.06 0.23 0.0
O3 O-2 -0.0323 0.0752 0.0705 1 0.0
O2 O-2 -0.0026 -0.0049 0.1447 1 0.0
O1 O-2 -0.1099 0 0.1054 1 0.0
Si1 Si+4 -0.0531 0.1252 0.0354 1 0.0
Na1 Na+1 0 0 0 0.68 0.0
O7 O-2 0.83 0.104 0.109 0.09 0.0
O5 O-2 0.1689 0.1689 0.1689 0.7 0.0
Al1 Al+3 -0.0536 0.037 0.1236 0.9583 0.0
