Database of Zeolite Structures
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Ammonium Fluoride ZSM-23
NMR
Silicon-29
ZSM-23, dealuminated
XPD
Calculated pattern
Ammonium Fluoride ZSM-23
Measured pattern
SSZ-32 (VS)
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Powder Pattern
Framework Type
MTT
Powder Diffraction Pattern for Ammonium Fluoride ZSM-23
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
1
(# 4)
Cell parameters:
a
=
11.129 Å
b
=
5.025Å
c
=
21.519 Å
α =
90°
β =
89.85°
γ =
90 °
Chemical Formula
[
Al
x
Si
24-x
O
48
]
-
MTT
Refinement:
X-ray Rietveld refinement, R
exp
=0.033, R
wp
=0.085, R
F
=0.089
Comment:
unique axis b
Reference:
Marler, B., Deroche, C., Gies, H., Fyfe, C.A., Grondey, H., Kokotailo, G.T., Feng, Y., Ernst, S., Weitkamp, J. and Cox, D.E.
J. Appl. Crystallogr.
,
26
, 636-644 (1993)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
SI1
Si
-0.009
-0.02
0.4578
1
1.1
SI2
Si
0.726
-0.082
0.425
1
1.1
SI3
Si
0.228
-0.112
0.384
1
1.1
SI4
Si
0.312
0
0.251
1
1.1
SI5
Si
0.476
0.503
0.249
1
1.1
SI6
Si
0.346
0.39
0.434
1
1.1
SI7
Si
0.6
0.417
0.378
1
1.1
SI8
Si
-0.01
-0.1
0.0422
1
1.1
SI9
Si
0.726
-0.012
0.077
1
1.1
SI10
Si
0.232
-0.077
0.118
1
1.1
SI11
Si
0.355
0.424
0.063
1
1.1
SI12
Si
0.603
0.487
0.12
1
1.1
O1
O
0.012
0.27
0.487
1
1.03
O2
O
0.866
-0.02
0.422
1
1.03
O3
O
0.093
-0.09
0.408
1
1.03
O4
O
0.683
-0.04
0.495
1
1.03
O5
O
0.655
0.122
0.381
1
1.03
O6
O
0.231
-0.05
0.311
1
1.03
O7
O
0.317
0.085
0.419
1
1.03
O8
O
0.368
0.292
0.254
1
1.03
O9
O
0.564
0.49
0.308
1
1.03
O10
O
0.486
0.44
0.423
1
1.03
O11
O
0.866
-0.07
0.079
1
1.03
O12
O
0.1
-0.05
0.089
1
1.03
O13
O
0.679
-0.03
0.008
1
1.03
O14
O
0.226
-0.03
0.192
1
1.03
O15
O
0.553
0.43
0.189
1
1.03
O16
O
0.497
0.46
0.071
1
1.03
O17
O
0.708
0.28
0.103
1
1.03
O18
O
0.322
0.13
0.086
1
1.03
O19
O
-0.001
0.11
-0.014
1
1.03
O20
O
0.701
0.621
0.401
1
1.03
O21
O
0.269
0.584
0.392
1
1.03
O22
O
0.422
0.797
0.246
1
1.03
O23
O
0.652
0.786
0.12
1
1.03
O24
O
0.285
0.632
0.106
1
1.03
F1
F
0.938
0.55
0.215
0.86
31.58
N1
N
0.89
0.06
0.261
0.86
31.58
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IZA-SC
)