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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/1/53/72/1537258.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_1537258
loop_
_publ_author_name
'Gao, S.'
'Cao, R.'
'Bi, W.'
'Li, X.'
'Lin, Z.'
_publ_section_title
;
 Porous structures constructed from [Si Mo12 O40] and [Si W12 O40] Keggin
 units
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              139
_journal_page_last               145
_journal_volume                  80
_journal_year                    2005
_chemical_formula_sum            'H28 Mo12 Na4 O54 Si'
_chemical_name_systematic        'Na4 (H2 O)8 Si Mo12 O40 (H2 O)6'
_space_group_IT_number           128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.2085
_cell_length_b                   14.2085
_cell_length_c                   12.4863
_cell_volume                     2520.753
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Gao_MIMMFJ_2005_1751.cif
_cod_data_source_block           H28Mo12Na4O54Si1
_cod_original_formula_sum        'H28 Mo12 Na4 O54 Si1'
_cod_database_code               1537258
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x-1/2,y-1/2,z-1/2
-y-1/2,-x-1/2,z-1/2
x-1/2,-y-1/2,z-1/2
y-1/2,x-1/2,z-1/2
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
O7 O-2 -0.1133 0.6133 0.25 1 0.0
Mo1 Mo+6 0.11394 0.86564 0.20025 1 0.0
O1 O-2 0.1303 0.4691 0.5 1 0.0
O5 O-2 0.2818 0.3877 0.6085 1 0.0
O8 O-2 0.181 0.937 0.5 1 0.0
Si1 Si+4 0 0 0 1 0.0
O3 O-2 -0.011 0.8738 0.2545 1 0.0
O2 O-2 0.1652 0.803 0.2962 1 0.0
Na1 Na+1 0.2084 0.7494 0.5 1 0.0
O9 O-2 0 1 0.407 1 0.0
O10 O-2 0.042 0.67 0.5 1 0.0
O4 O-2 0.0779 0.767 0.1067 1 0.0
Mo2 Mo+6 0.25366 0.48032 0.5 1 0.0
O6 O-2 0.0927 -0.007 0.0762 0.5 0.0
