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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=280421
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Title
Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy.
Authors
Gualtieri, A.F.
Reference
IC&volume=56&fpage=584&details=yes target=icsd_help>Acta Crystallographica B (2000)
56
, 584-593
Link
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Compound
H3.808 N0.952 Na0.104 O8.256 Si3.2
-
[Phillipsite]
Sodium ammonium silicate *
[
AB16X5Y41
] [
mP82
] [
f14 e6 d
] [
]
Cell
10.0507(5), 14.2016(8), 8.7281(8), 90., 125.123(5), 90.
P121/M1 (11)
V=1018.98
Remarks
D M =Phillipsite : R S
No R value given in the paper.
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Deviation of the charge sum from zero tolerable.
Atom (site) Oxid.
x, y, z, B, Occupancy
Si1
(4f)
4
Si2
(4f)
4
Si3
(4f)
4
Si4
(4f)
4
O1
(4f)
-2
O2
(4f)
-2
O3
(4f)
-2
O4
(4f)
-2
O5
(4f)
-2
O6
(4f)
-2
O7
(4f)
-2
O8
(2e)
-2
O9
(2e)
-2
O10
(2e)
-2
O11
(2e)
-2
O12
(4f)
-2
O13
(2e)
-2
O14
(2d)
-2
Na1
(4f)
1
N1
(2e)
-3
H1
(2e)
1
H2
(2e)
1
H3
(4f)
1
N2
(4f)
-3
H4
(4f)
1
H5
(4f)
1
H6
(4f)
1
H7
(4f)
1
0.74
0.02
0.29
0.04
1
0.42
0.13
0.00
0.03
1
0.05
0.00
0.28
0.02
1
0.12
0.13
0.04
0.03
1
0.13
0.08
0.22
0.03
1
0.65
0.57
0.18
0.02
1
0.61
0.10
0.16
0.05
1
0.01
0.91
0.16
0.07
1
0.89
0.05
0.26
0.03
1
0.32
0.37
0.11
0.03
1
0.79
0.46
0.50
0.03
1
0.57
0.75
0.06
0.09
1
0.07
0.25
0.02
0.05
1
0.76
0.75
0.44
0.04
1.
0.94
0.25
0.55
0.08
1.
0.37
0.80
0.15
0.06
0.90
0.46
0.25
0.50
0.08
0.11
0.5
0.5
0.5
0.09
0.73
0.67
0.19
0.45
0.03
0.13
0.87
0.25
0.17
0.08
1
0.85
0.25
0.25
0.05
1
0.98
0.25
0.23
0.05
1
0.83
0.30
0.09
0.05
1
0.40
0.68
0.48
0.03
0.69
0.32
0.72
0.46
0.05
0.69
0.42
0.64
0.56
0.05
0.69
0.49
0.72
0.54
0.05
0.69
0.38
0.66
0.38
0.05
0.69
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