Database of Zeolite Structures
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STI
Framework Type
STI
Building Scheme
STI
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CIF
STI
Framework
Stilbite
Stellerite
Barrerite
XPD
Calculated pattern
Stilbite
Stellerite
Barrerite
Measured pattern
TNU-10 (VS)
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Powder Pattern
Framework Type
STI
Powder Diffraction Pattern for Stilbite
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 1 2/m 1
(# 12)
Cell parameters:
a
=
13.64 Å
b
=
18.24Å
c
=
11.27 Å
α =
90°
β =
128°
γ =
90 °
Chemical Formula
|
Na
4
Ca
8
(H
2
O)
56
|
1/2
[
Al
20
Si
52
O
144
]
1/2
-
STI
Refinement:
X-ray single crystal refinement, R=0.123
Comment:
unique axis b, cell choice 1
Reference:
Galli, E.
Acta Crystallogr.
,
B27
, 833-841 (1971)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
NA1
Na
0.5055
0.0659
0.0392
0.22
4.28
CA1
Ca
0.2805
0
0.0949
1
2.15
SI1
Si
0.483
0.3042
0.242
0.5
0.46
SI2
Si
0.2653
0.3097
0.2619
0.73
0.33
SI3
Si
0.1892
0.0893
0.4846
0.73
0.4
SI4
Si
0.1124
0.3166
0.5013
1
0.43
SI5
Si
0
0.261
0
0.5
0.42
AL1
Al
0.483
0.3042
0.242
0.5
0.46
AL2
Al
0.2653
0.3097
0.2619
0.27
0.33
AL3
Al
0.1892
0.0893
0.4846
0.27
0.4
AL5
Al
0
0.261
0
0.5
0.42
O1
O
0.4645
0.2911
0.0842
1
1.4
O2
O
0.1164
0.3162
0.1189
1
1.38
O3
O
0.0512
0.2661
0.3516
1
2.03
O4
O
0.0638
0.1199
0.3226
1
1.41
O5
O
0.2935
0.2308
0.3453
1
2.01
O6
O
0.3001
0.3796
0.3714
1
1.76
O7
O
0.3406
0.3162
0.1914
1
1.4
O8
O
0.3157
0.1119
0.5024
1
1.78
O9
O
0.1863
0
0.4876
1
1.75
O10
O
0
0.3509
0.5
1
1.15
H2O1
O2-(H2O)
0.1347
0.0776
0.1067
0.84
7.45
H2O2
O2-(H2O)
0.3306
0.1258
0.1013
0.91
4.71
H2O3
O2-(H2O)
0.3691
0
0.3549
0.85
3.58
H2O4
O2-(H2O)
0.5124
0
0.2416
1
9.98
H2O5
O2-(H2O)
0.4028
0.5
0.1632
1
4.72
H2O6
O2-(H2O)
0.1712
0.5
0.104
1
10.16
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IZA-SC
)