Database of Zeolite Structures
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NSI
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NSI
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NSI
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Nu-6(2)
XPD
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Nu-6(2)
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Powder Pattern
Framework Type
NSI
Powder Diffraction Pattern for Nu-6(2)
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 1 2
1
/a 1
(# 14)
Cell parameters:
a
=
17.2569 Å
b
=
4.9881Å
c
=
13.8482 Å
α =
90°
β =
106.091°
γ =
90 °
Chemical Formula
[
Si
12
O
24
]
2
-
NSI
Refinement:
Reference:
Zanardi, S., Alberti, A., Cruciani, G., Corma, A., Fornés, V. and Brunelli, M.
Angew. Chem. Int. Ed.
,
43
, 4933-4937 (2004)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
SI1
Si
0.3286
0.2344
0.3038
1
0.0134
SI2
Si
0.5921
0.7965
0.2688
1
0.0134
SI3
Si
0.3093
0.6423
0.0109
1
0.0134
SI4
Si
0.3501
0.729
-0.1906
1
0.0134
SI5
Si
0.4068
0.7245
0.2323
1
0.0134
SI6
Si
0.6973
0.952
0.4901
1
0.0134
O1
O
0.3737
0.6247
0.1175
1
0.0163
O2
O
0.3852
0.4824
0.2984
1
0.0163
O3
O
0.6402
0.8547
0.3845
1
0.0163
O4
O
0.722
0.2636
0.4952
1
0.0163
O5
O
0.3612
0.7092
-0.0688
1
0.0163
O6
O
0.5013
0.7259
0.2598
1
0.0163
O7
O
0.4167
0.9246
-0.2075
1
0.0163
O8
O
0.2481
0.885
0.0176
1
0.0163
O9
O
0.3639
-0.0105
0.2527
1
0.0163
O10
O
0.3462
0.1404
0.4236
1
0.0163
O11
O
0.3639
0.4331
-0.2289
1
0.0163
O12
O
0.2392
0.315
0.2504
1
0.0163
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IZA-SC
)