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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=88542
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Title
Location of water and xylene molecules adsorbed on prehydrated zeolite BaX. A low-temperature neutron powder diffraction study.
Authors
Pichon, C.;Methivier, A.;Simonot-Grange, M.-H.;Baerlocher, C.
Reference
IC&volume=103&fpage=101&details=yes target=icsd_help>J. Phys. Chem. B (1999)
103
, 101-102
Link
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Compound
D102.592 Al93.63 Ba46.32 Na0.99 O435.296 Si98.37
-
[Zeolite BaX]
Sodium barium tecto-alumosilicate dideuteriohydrate *
[
AB46C192X435
] [
cF777
] [
i h g8 e4 c
] [
]
Cell
25.080(30), 25.080(30), 25.080(30), 90., 90., 90.
FD3-MZ (227)
V=15775.48
Remarks
R=0.026000 : M =Zeolite BaX : N T =1.5 : D
Atom (site) Oxid.
x, y, z, B, Occupancy
Si1
(192i)
4
Al1
(192i)
3
O1
(96h)
-2
O2
(96g)
-2
O3
(96g)
-2
O4
(96g)
-2
Ba1
(16c)
2
Ba2
(32e)
2
Ba3
(32e)
2
Na1
(32e)
1
O5
(32e)
-2
D1
(96g)
1
D2
(96g)
1
O6
(96g)
-2
D3
(96g)
1
D4
(96g)
1
-.05
0.03
0.12
0.01
0.51
-.05
0.03
0.12
0.01
0.48
0.89
0
0.10
0.01
1
-.00
-.00
0.13
0.01
1
-.03
0.07
0.07
0.01
1
-.06
0.06
0.18
0.01
1
0
0
0
0.02
0.06
0.07
0.07
0.07
0.02
0.49
0.24
0.24
0.24
0.01
0.92
0.05
0.05
0.05
0.03
0.03
0.18
0.18
0.18
0.09
0.47
0.20
0.20
0.16
0.09
0.15
0.16
0.16
0.15
0.09
0.15
0.31
0.20
0.31
0.08
0.37
0.30
0.17
0.30
0.08
0.37
0.30
0.23
0.30
0.08
0.37
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