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STF
Framework Type
STF
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STF
Tiling
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STF
Framework
SSZ-35, Calcined
NMR
Silicon-29
SSZ-35, calcined
XPD
Calculated pattern
SSZ-35, Calcined
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Powder Pattern
Framework Type
STF
Powder Diffraction Pattern for SSZ-35, 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:
P -1
(# 2)
Cell parameters:
a
=
11.4114 Å
b
=
11.5268Å
c
=
7.377 Å
α =
94.661°
β =
96.206°
γ =
104.892 °
Chemical Formula
[
Si
32
O
64
]
1/2
-
STF
Refinement:
X-ray Rietveld refinement, R
p
= 0.0995, R
wp
= 0.1188
Reference:
Wagner, P., Zones, S.I., Davis, M.E. and Medrud, R.C.
Angew. Chem. Int. Ed.
,
38
, 1269-1272 (1999)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Si1
Si
0.36019
0.3563
0.61106
1
1.04
Si2
Si
0.41221
0.42852
0.21918
1
1.49
Si3
Si
0.14209
0.64205
0.40966
1
1.72
Si4
Si
0.36181
0.85678
0.57148
1
2.06
Si5
Si
0.13396
0.44151
0.67151
1
1.52
Si6
Si
0.23859
0.56731
0.04636
1
1.77
Si7
Si
0.46001
0.75796
0.92351
1
2.31
Si8
Si
0.55968
0.87468
0.30376
1
1.76
O1
O
0.36502
0.37709
0.40067
1
1.87
O2
O
0.23168
0.36461
0.67114
1
0.89
O3
O
0.47018
0.4577
0.73017
1
3.15
O4
O
0.37472
0.2251
0.64375
1
2.07
O5
O
0.30673
0.47043
0.10734
1
2.6
O6
O
0.4489
0.32523
0.09908
1
2.49
O7
O
0.22725
0.77005
0.5079
1
1.84
O8
O
0.16588
0.54074
0.5323
1
2.01
O9
O
0.17639
0.61558
0.20899
1
2.46
O10
O
0.00178
0.64477
0.39598
1
1.13
O11
O
0.43707
0.85788
0.39827
1
3.01
O12
O
0.35217
0.99191
0.62479
1
1.61
O13
O
0.43055
0.81119
0.73707
1
2.31
O14
O
0.13629
0.50548
0.87315
1
1.2
O15
O
0.33382
0.67945
0.9804
1
2.47
O16
O
0.52218
0.86584
0.08546
1
1.83
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IZA-SC
)