Database of Zeolite Structures
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Framework
UZM-25 calcined
XPD
Calculated pattern
UZM-25 calcined
Measured pattern
CDS-1 (VS)
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Powder Pattern
Framework Type
CDO
Powder Diffraction Pattern for UZM-25 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:
C m c m
(# 63)
Cell parameters:
a
=
7.385 Å
b
=
18.4453Å
c
=
13.795 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
[
Si
36
O
72
]
-
CDO
Refinement:
X-ray single crystal refinement (Shelxtl), R1=0.098, wR2 = 0.206
Reference:
Knight, L.M., Miller, M.A., Koster, S.C., Gatter, M.G., Benin, A.I., Willis, R.R., Lewis, G.J. and Broach, R.W.
Stud. Surf. Sci. Catal.
,
170A
, 338-346 (2007)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Si1
Si
0.2054
0.1776
0.4503
1
3.77
Si2
Si
0
0.4204
0.4613
1
3.69
Si3
Si
0.2921
0.2382
0.25
1
5.19
Si4
Si
0
0.3631
0.25
1
5.29
O1
O
0
0.1571
0.467
1
5.68
O2
O
0.2456
0.1865
0.3393
1
7.5
O3
O
0.3249
0.117
0.4971
1
6.71
O4
O
0
0.5
0.5
1
7.5
O5
O
0.1731
0.3123
0.25
1
6.95
O6
O
0.5
0.2599
0.25
1
5.61
O7
O
0
0.4151
0.3447
1
5.68
O8
O
0.25
0.25
0.5
1
9.63
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IZA-SC
)