Database of Zeolite Structures
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KFI
Framework Type
KFI
Building Scheme
KFI
Tiling
CIF
KFI
Framework
(Cs,K) ZK5, Dehydrated
XPD
Calculated pattern
(Cs,K) ZK5, Dehydrated
Measured pattern
ZK-5 (VS)
3D Drawing
KFI
Framework
KFI
Tiling
Materials
KFI
Reference Material
KFI
All materials
Framework
KFI
Framework
KFI
List of T-atoms
KFI
CS and Vertex Symbols
KFI
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KFI
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IZA-SC
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Powder Pattern
Framework Type
KFI
Powder Diffraction Pattern for (Cs,K) ZK5, Dehydrated
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:
I m -3 m
(# 229)
Cell parameters:
a
=
18.671 Å
b
=
18.671Å
c
=
18.671 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
[
Si
74.3
Al
21.7
O
192
]
-
KFI
Refinement:
X-ray Rietveld refinement, R
wp
=0.09
Reference:
Parise, J.B., Shannon, R.D., Prince, E. and Cox, D.E.
Z. Kristallogr.
,
165
, 175-190 (1983)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
K1
K
0
0.25
0.5
0.78
3.9
K2
K
0.15
0.15
0.15
0.22
3.9
CS
Cs
0
0
0.314
0.81
4.7
SI1
Si
0.0825
0.2023
0.3211
0.76
1.1
AL1
Al
0.0825
0.2023
0.3211
0.24
1.1
O1
O
0.128
0.128
0.3145
1
2
O2
O
0.2522
0.2522
0.4081
1
1.3
O3
O
0
0.1783
0.3369
1
1.7
O4
O
0.25
0.1085
0.3915
1
1.7
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Copyright © 2017 Structure Commission of the International Zeolite Association (
IZA-SC
)