Database of Zeolite Structures
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VFI
Framework Type
VFI
Building Scheme
VFI
Tiling
CIF
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VFI
Framework
VPI-5
NMR
Phosphorus-31
VPI-5, as-made, hydrated
VPI-5, as-made, hydrated, 370 K
VPI-5, dehydrated
XPD
Calculated pattern
VPI-5
Measured pattern
VPI-5 (DPA method) (VS)
VPI-5 (TBA method) (VS)
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VFI
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VFI
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VFI
Reference Material
VFI
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VFI
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VFI
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VFI
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VFI
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VFI
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Powder Pattern
Framework Type
VFI
Powder Diffraction Pattern for VPI-5
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:
P 6
3
(# 173)
Cell parameters:
a
=
18.9752 Å
b
=
18.9752Å
c
=
8.1044 Å
α =
90°
β =
90°
γ =
120 °
Chemical Formula
|
(H
2
O)
42
|
[
Al
18
P
18
O
72
]
-
VFI
Refinement:
X-ray Rietveld refinement, R
exp
=0.108, R
wp
=0.141, R
F
=0.086
Reference:
McCusker, L.B., Baerlocher, Ch., Jahn, E. and Bülow, M.
Zeolites
,
11
, 308-313 (1991)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Al1
Al
0.385
-0.001
0.239
1
0.24
Al2
Al
0.474
-0.173
0.204
1
0.24
Al3
Al
0.654
0.169
0.198
1
0.24
P1
P
0.55
-0.001
0.358
1
0.79
P2
P
0.311
-0.185
0.32
1
0.79
P3
P
0.507
0.185
0.309
1
0.79
O1
O
0.47
0.001
0.339
1
1.5
O2
O
0.431
0.009
0.037
1
1.5
O3
O
0.322
-0.112
0.223
1
1.5
O4
O
0.43
0.111
0.255
1
1.5
O5
O
0.54
-0.074
0.264
1
1.5
O6
O
0.619
0.072
0.278
1
1.5
O7
O
0.512
-0.231
0.28
1
1.5
O8
O
0.378
-0.206
0.28
1
1.5
O9
O
0.474
-0.175
-0.015
1
1.5
O10
O
0.311
-0.168
0.5
1
1.5
O11
O
0.575
0.195
0.198
1
1.5
O12
O
0.739
0.236
0.315
1
1.5
H2O1
O2-(H2O)
0.339
0.005
0.465
1
2.13
H2O2
O2-(H2O)
0.29
0.002
0.16
1
2.13
H2O3
O2-(H2O)
0.314
0.13
-0.028
1
7.11
H2O4
O2-(H2O)
0.248
0.055
-0.288
1
10.03
H2O5
O2-(H2O)
0.193
0.045
-0.566
1
10.03
H2O6
O2-(H2O)
0.319
0.189
-0.539
1
7.11
H2O7
O2-(H2O)
0.1
0.053
0.165
1
10.03
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IZA-SC
)