LTF
Framework Type
LTF
Powder Diffraction Pattern for LZ-135
Set Parameters:
2θ range:
°
-
°
Step size:
°2θ
Background:
Polarization factor:
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
Peak shape parameters
(The pattern is calculated using a pseudo Voigt function with FWHM = sqrt(U + V tan θ + W tan
2
θ))
:
Peak range:
FWHM
Mixing parameter:
%
Peak width:
set UVW at
calculate UVW such that
U =
FWHM =
at
°2θ
V =
FWHM =
at
°2θ
W =
FWHM =
at
°2θ
Intensity scale:
Reference peak, scaled to
,
is the
highest peak in 2θ range
peak closest to
°2θ
reflection (hkl)
Plot parameters:
Output:
on screen
Postscript
HP-GL
ASCII
Size:
small (410x310)
medium (640x480)
large (880x650)
Intensity axis:
-
List hkl and intensity
plot powder pattern
Crystal data:
Composition:
|
Na
26
(N(CH
3
)
4
)
6
|
[Si
76
Al
32
O
216
]
-
LTF
Refined composition:
|
Na
27.5
(H
2
O)
17.2
|
[Si
108
O
216
]
-
LTF
Space group:
P6
3
/mmc
(# 194)
Setting:
Cell parameters:
a
=
31.3830Å
b
=
31.3830Å
c
=
7.6513Å
α =
90.00°
β =
90.00°
γ =
120.00°
Refinement:
X-ray (synchrotron) Rietveld refinement, R
wp
=0.103, R
exp
=0.089, R
F
=0.070
Reference:
McCusker, L.B., Baerlocher, Ch., Wilson, S.T. and Broach, R.W
submitted
,
, ()
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
SiAl1
Si
0.0531
0.4314
0.4558
1.0
0.9
SiAl2
Si
0.1912
0.4849
0.7500
1.0
0.9
SiAl3
Si
0.1532
0.5262
0.4598
1.0
0.9
SiAl4
Si
0.0538
0.2059
0.4564
1.0
0.9
SiAl5
Si
0.0858
0.3848
0.7500
1.0
0.9
SiAl6
Si
0.0917
0.2842
0.7500
1.0
0.9
O1
O
0.0000
0.4268
0.5000
1.0
1.8
O2
O
0.0942
0.4887
0.504
1.0
1.8
O3
O
0.0591
0.3895
0.5686
1.0
1.8
O4
O
0.0554
0.4180
0.2500
1.0
1.8
O5
O
0.1907
0.5157
0.5772
1.0
1.8
O6
O
0.2394
0.4788
0.7500
1.0
1.8
O7
O
0.1444
0.4277
0.7500
1.0
1.8
O8
O
0.1663
0.5242
0.2500
1.0
1.8
O9
O
0.1625
0.5812
0.514
1.0
1.8
O10
O
0.0000
0.1582
0.5000
1.0
1.8
O11
O
0.0562
0.2219
0.2500
1.0
1.8
O12
O
0.0940
0.1880
0.499
1.0
1.8
O13
O
0.0624
0.2529
0.5758
1.0
1.8
O14
O
0.0866
0.3332
0.7500
1.0
1.8
O15
O
0.1508
0.3016
0.7500
1.0
1.8
Ow1
O
0.0459
0.3114
0.2500
1.0
4.0
Ow2
O
0.1077
0.076
0.2500
0.43
4.0
Na1
Na
0.2238
0.6119
0.7500
0.49
3.9
Na2
Na
0.2668
0.5335
0.403
0.34
3.9
Na3
Na
0.1931
0.3862
0.7500
0.66
3.9
Na4
Na
0.08444
0.5422
0.7500
0.473
3.9
Na5
Na
0.01902
0.5095
0.616
0.26
3.9
Na6
Na
0.0000
0.2923
0.500
0.88
3.9
Copyright © 2007 Structure Commission of the International Zeolite Association (
IZA-SC
)
