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*MRE
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ZSM-48, polymorph 6
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Powder Pattern
Framework Type
*MRE
Powder Diffraction Pattern for ZSM-48, polymorph 6
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 m a
(# 74)
Cell parameters:
a
=
8.4 Å
b
=
14.24Å
c
=
20.14 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
[
Si
48
O
96
]
-
*MRE
Refinement:
DLS refinement
Reference:
Schlenker, J.L. Rohrbaugh, W.J., Chu, P., Valyocsik, E.W. and Kokotailo, G.T.
Zeolites
,
5
, 355-358 (1985)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
T1
Si
0.3187
-0.25
-0.0098
1
1
T2
Si
0.1838
-0.25
0.1316
1
1
T3
Si
0.3143
-0.0527
0.1774
1
1
T4
Si
0.183
-0.0664
-0.0601
1
1
O1
O
0.5
-0.25
0.0172
1
2
O2
O
0
-0.25
0.1536
1
2
O3
O
0.5
-0.03
0.17
1
2
O4
O
0
-0.0965
-0.0518
1
2
OI
O
0.1965
-0.25
0.0516
1
2
OII
O
0.275
-0.1591
0.1595
1
2
OIII
O
0.25
-0.0285
0.25
1
2
OiV
O
0.2118
0.0143
0.1289
1
2
OV
O
0.2367
0
0
1
2
OVI
O
0.2936
-0.1588
-0.056
1
2
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IZA-SC
)