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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
The crystal structure of zeolite Na-X in hydrated and dehydrated form.
Authors
Smolin, Yu.I.;Shepelev, Yu.F.;Butikova, I.K.;Petranovskii, V.P.
Reference
Kristallografiya (1983)
28
, 72-78
Link
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Compound
H12.6 Al6 Na4.43 O30.3 Si6
-
[Zeolite X]
Sodium tecto-alumosilicate *
[
A71B96C96X485
] [
cF949
] [
g10 e4 c
] [
]
Cell
25.010(10), 25.010(10), 25.010(10), 90., 90., 90.
FD3-Z (203)
V=15643.76
Remarks
R=0.065000 : M =Zeolite X : P =39-218 : D
Deviation of the charge sum from zero tolerable.
PDF 39-218, Na1 and Na4 contain some H2O, refined as pure Na
Atom (site) Oxid.
x, y, z, B, Occupancy
Si1
(96g)
4
Al1
(96g)
3
O1
(96g)
-2
O2
(96g)
-2
O3
(96g)
-2
O4
(96g)
-2
Na1
(16c)
1
Na2
(32e)
1
Na3
(32e)
1
Na4
(96g)
1
O5
(32e)
-2
O6
(96g)
-2
O7
(32e)
-2
O8
(96g)
-2
O9
(96g)
-2
H1
(32*)
1
-.05
0.12
0.03
0
1
-.05
0.03
0.12
0
1
-.10
0.00
0.10
0
1
-.00
-.00
0.14
0
1
-.03
0.07
0.07
0
1
-.07
0.07
0.17
0
1
0
0
0
4.47
0.51
0.23
0.23
0.23
0
0.96
0.06
0.06
0.06
0
0.64
0.07
0.03
0.42
4.37
0.12
0.17
0.17
0.17
5.28
0.08
0.09
0.09
0.80
0
0.57
0.71
0.71
0.71
6.18
0.40
0.01
0.01
0.40
3.32
0.18
0.12
0.05
0.79
5.15
0.14
0
6.3
Atom (site) Oxid.
Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Si1
(96g)
4
Al1
(96g)
3
O1
(96g)
-2
O2
(96g)
-2
O3
(96g)
-2
O4
(96g)
-2
Na1
(16c)
1
Na2
(32e)
1
Na3
(32e)
1
Na4
(96g)
1
O5
(32e)
-2
O6
(96g)
-2
O7
(32e)
-2
O8
(96g)
-2
O9
(96g)
-2
H1
(32*)
1
0.00
0.00
0.00
0.00
0.00
-.00
0.00
0.00
0.00
0.00
-.00
-.00
0.00
0.00
0.00
-.00
0.00
-.00
0.00
0.00
0.00
0.00
-.00
-.00
0.00
0.00
0.00
0.00
0.00
-.00
0.00
0.00
0.00
-.00
0.00
-.00
0
0
0
0
0
0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0
0
0
0
0
0
0
0
0
0
0
0
0.00
0.00
0.00
0.00
0.00
0.00
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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