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AlPO-18, Calcined
NMR
Phosphorus-31
AlPO-18, as-made
AlPO-18, calcined
AlPO-18, calcined, hydrated
XPD
Calculated pattern
AlPO-18, Calcined
Measured pattern
AlPO-18 (VS)
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Powder Pattern
Framework Type
AEI
Powder Diffraction Pattern for AlPO-18, Calcined
Input Parameters
Wavelength:
As specified
CrA1 (2.28970 Å)
CrA2 (2.29361 Å)
Cr (2.29090 Å)
FeA1 (1.93604 Å)
FeA2 (1.93998 Å)
Fe (1.93730 Å)
CuA1 (1.54056 Å)
CuA2 (1.54439 Å)
Cu (1.54180 Å)
MoA1 (0.70930 Å)
MoA2 (0.71359 Å)
Mo (0.71070 Å)
AgA1 (0.55941 Å)
AgA2 (0.56380 Å)
Ag (0.56080 Å)
or
Å
keV
2θ range:
° -
°
Step size:
°2θ
Polarization factor:
Background:
Reference peak is
highest peak in 2θ range
peak closest to
°2θ
reflection (
hkl
)
scaled to
Intensity axis:
-
Peak shape
Pseudo-Voigt: (1-
n
)Gaussian +
n
Lorentzian
FWHM = sqrt (U + V tan θ + W tan
2
θ)
Mixing parameter (
n
):
%
Peak range:
FWHM
Peak width:
set UVW at:
U =
V =
W =
Calculate UVW such that
FWHM =
at
°2θ
FWHM =
at
°2θ
FWHM =
at
°2θ
Select Output
List hkl and intensity
List powder pattern
plot powder pattern
Crystal Data
Space Group:
C 1 2/c 1
(# 15)
Cell parameters:
a
=
13.7114 Å
b
=
12.7315Å
c
=
18.5706 Å
α =
90°
β =
90.01°
γ =
90 °
Chemical Formula
[
Al
24
P
24
O
96
]
-
AEI
Refinement:
X-ray Rietveld refinement, R
exp
=0.047, R
wp
=0.108, R
F
=0.032
Comment:
unique axis b, cell choice 1
Reference:
Simmen, A., McCusker, L.B., Baerlocher, Ch. and Meier, W.M.
Zeolites
,
11
, 654-661 (1991)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
AL1
Al
0.88997
0.95872
0.16598
1
0.75
AL2
Al
0.88129
0.22661
0.93877
1
0.96
AL3
Al
0.22953
0.09687
0.04922
1
1.42
P1
P
0.77251
0.09559
0.05384
1
1.42
P2
P
0.10981
0.23135
0.93763
1
0.96
P3
P
0.11634
0.96983
0.16394
1
0.75
O1
O
0.17723
0.05318
0.12913
1
0.72
O2
O
0.14278
0.16702
0.00209
1
0.72
O3
O
0.00371
0.25884
0.94574
1
0.72
O4
O
0.84714
0.16747
0.02039
1
0.72
O5
O
0.81686
0.04552
0.12009
1
0.72
O6
O
0.01022
0.99732
0.15632
1
0.72
O7
O
0.13601
0.8626
0.1323
1
0.72
O8
O
0.33199
0.16953
0.06981
1
0.72
O9
O
0.85795
0.96546
0.25665
1
0.72
O10
O
0.81531
0.33988
0.92509
1
0.72
O11
O
0.12779
0.16274
0.8723
1
0.72
O12
O
0.26213
-0.01281
0.99849
1
0.72
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IZA-SC
)