Database of Zeolite Structures
PDF
Download PDF's of
YFI
Tiling
CIF
Download CIF's of
YFI
Framework
YNU-5
XPD
Calculated pattern
YNU-5
Measured pattern
calcined YNU-5
as-made YNU-5
3D Drawing
YFI
Framework
YFI
Tiling
Materials
YFI
Reference Material
YFI
All materials
Framework
YFI
Framework
YFI
List of T-atoms
YFI
CS and Vertex Symbols
YFI
Accessible Volumes and Areas
YFI
Tiling Arrangement
IZA-SC
All Codes
Intergrowths
Privacy
Terms & Credits
Help
Characteristic Units
CBU's
Chains
Loop configurations
SBU's
Tiles
OSDA's
Home
»
Codes
»
Powder Pattern
Framework Type
YFI
Powder Diffraction Pattern for YNU-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:
C m m m
(# 65)
Cell parameters:
a
=
18.106 Å
b
=
31.736Å
c
=
12.576 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
|
K
6.3
(H
2
O)
0.72
|
[
Al
12
Si
108
O
240
]
-
YFI
Refinement:
X-ray Rietveld refinement, R
wp
=0.052, R
B
=0.025, R
exp
=0.027,
Reference:
Nakazawa, N., Ikeda, T., Hiyoshi, N., Yoshida, Y., Han, Q., Inagaki, S. and Kubota, Y.
J. Am. Chem. Soc.
,
139
, 7989-7997 (2017)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Si1
Si
0.1942
0.0474
0.5
0.9
2.34
Si2
Si
0.4149
0.2386
0.3771
0.9
2.34
Si3
Si
0.1425
0.1754
0.3011
0.9
2.34
Si4
Si
0.4135
0
0.3751
0.9
2.34
Si5
Si
0.0873
0.1226
0.5
0.9
2.34
Si6
Si
0.2047
0.0493
0.1247
0.9
2.34
Si7
Si
0.9157
0.1154
0.1261
0.9
2.34
Si8
Si
0.305
0.0702
0.3151
0.9
2.34
Si9
Si
0.3022
0.1629
0.3736
0.9
2.34
Al1
Al
0.1942
0.0474
0.5
0.1
2.34
Al2
Al
0.4149
0.2386
0.3771
0.1
2.34
Al3
Al
0.1425
0.1754
0.3011
0.1
2.34
Al4
Al
0.4135
0
0.3751
0.1
2.34
Al5
Al
0.0873
0.1226
0.5
0.1
2.34
Al6
Al
0.2047
0.0493
0.1247
0.1
2.34
Al7
Al
0.9157
0.1154
0.1261
0.1
2.34
Al8
Al
0.305
0.0702
0.3151
0.1
2.34
Al9
Al
0.3022
0.1629
0.3736
0.1
2.34
O1
O
0.3686
0.197
0.6507
1
3.2
O2
O
0
0.1067
0.1559
1
3.2
O3
O
0.5
0
0.349
1
3.2
O4
O
0.0943
0.2478
0.5
1
3.2
O5
O
0.5
0.2287
0.3488
1
3.2
O6
O
0.8822
0.1537
0.1923
1
3.2
O7
O
0.241
0.0562
0.3947
1
3.2
O8
O
0.2303
0.1778
0.6907
1
3.2
O9
O
0.6019
0
0.5
1
3.2
O10
O
0.192
0
0.8473
1
3.2
O11
O
0.9083
0.1256
0
1
3.2
O12
O
0.7732
0.0554
0
1
3.2
O13
O
0.1102
0.2221
0.3069
1
3.2
O14
O
0.8708
0.0737
0.1546
1
3.2
O15
O
0.2849
0.1588
0.5
1
3.2
O16
O
0.6231
0.0416
0.3274
1
3.2
O17
O
0.7254
0.0655
0.1967
1
3.2
O18
O
0.6698
0.1179
0.3345
1
3.2
O19
O
0.1076
0.1482
0.3949
1
3.2
O20
O
0.1655
0
0.5
1
3.2
O21
O
0.8772
0.0767
0.5
1
3.2
O22
O
0
0.1164
0.5
1
3.2
K1
K
0.5
0.1103
0.675
0.4481
10
K2
K
0.5
0.5
0.7176
0.6798
10
WO1
O2-(H2O)
0.25
0.25
0.22
0.071
3
WO2
O2-(H2O)
0.5
0.5
0.05
0.038
3
Edit this structure
Copyright © 2017 Structure Commission of the International Zeolite Association (
IZA-SC
)