Database of Zeolite Structures
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LTA
Framework Type
LTA
Building Scheme
LTA
Tiling
CIF
LTA
Framework
Linde Type A, Hydrated
Linde Type A, Dehydrated
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NMR
Silicon-29
Zeolite A, high silica, calcined
Zeolite A
ZK-4
Phosphorus-31
AlPO-LTA, as-made
XPD
Calculated pattern
Linde Type A, Hydrated
Linde Type A, Dehydrated
Measured pattern
Nanosized Linde Type TMA-A (VS)
Linde Type A (VS)
3D Drawing
LTA
Framework
LTA
Tiling
Materials
LTA
Reference Material
LTA
All materials
Framework
LTA
Framework
LTA
List of T-atoms
LTA
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LTA
Accessible Volumes and Areas
LTA
Tiling Arrangement
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Powder Pattern
Framework Type
LTA
Powder Diffraction Pattern for Linde Type A, Dehydrated
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
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Crystal Data
Space Group:
F m -3 c
(# 226)
Cell parameters:
a
=
24.555 Å
b
=
24.555Å
c
=
24.555 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
[
Al
12
Si
12
O
48
]
8
-
LTA
Refinement:
X-ray single crystal refinement, R
w
=0.023
Reference:
Pluth, J.J. and Smith, J.V.
J. Am. Chem. Soc.
,
102
, 4704-4708 (1980)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
NA1
Na
0.0996
0.0996
0.0996
0.972
3.79
NA2
Na
0
0.2165
0.2111
0.242
6.35
NA3
Na
0.25
0.106
0.106
0.066
4.34
SI1
Si
0
0.09316
0.18499
1
1.89
AL1
Al
0
0.18715
0.09042
1
1.98
O1
O
0
0.11367
0.24663
1
3.17
O2
O
0
0.14459
0.14591
1
3.68
O3
O
0.05379
0.05865
0.17152
1
2.98
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IZA-SC
)