Database of Zeolite Structures
PDF
Download PDF's of
STT
Framework Type
STT
Building Scheme
STT
Tiling
CIF
Download CIF's of
STT
Framework
SSZ-23
NMR
Silicon-29
SSZ-23, calcined
XPD
Calculated pattern
SSZ-23
Measured pattern
SSZ-23
3D Drawing
STT
Framework
STT
Tiling
Materials
STT
Reference Material
STT
All materials
Framework
STT
Framework
STT
List of T-atoms
STT
CS and Vertex Symbols
STT
Accessible Volumes and Areas
STT
Tiling Arrangement
IZA-SC
All Codes
Intergrowths
Privacy
Terms & Credits
Help
Characteristic Units
CBU's
Chains
Loop configurations
SBU's
Tiles
OSDA's
Home
»
Codes
»
Powder Pattern
Framework Type
STT
Powder Diffraction Pattern for SSZ-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
/n 1
(# 14)
Cell parameters:
a
=
12.9594 Å
b
=
21.7919Å
c
=
13.598 Å
α =
90°
β =
101.855°
γ =
90 °
Chemical Formula
|
(TMAda+)
4.1
F
3.3
(OH)
0.8
|
[
Si
64
O
128
]
-
STT
TMAda+ = C
13
H
24
N
+
= trimethylaminoadamantane ion
=
1-adamantyl(trimethyl)azanium
SMILES: C[N+](C)(C)C12CC3CC(C1)CC(C3)C2
;
Images:
stick
or
Show Model
Refinement:
X-ray single crystal refinement, R
F
obs
= 0.0811, wR
F^{2
= 0.1657
Comment:
unique axis b, cell choice 2
Reference:
Camblor, M.A., Díaz-Cabañas, M.-J., Perez-Pariente, J., Teat, S.J., Clegg, W., Shannon, I.J., Lightfoot, P., Wright, P.A. and Morris, R.E.
Angew. Chem. Int. Ed.
,
37
, 2122-2126 (1998)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Si1
Si
0.59105
0.16686
0.20389
1
0.77
Si2
Si
0.6351
0.16809
0.44152
1
1
Si3
Si
0.69632
0.57232
-0.0374
1
0.84
Si4
Si
0.66614
0.49124
0.13311
1
0.74
Si5
Si
0.6625
0.29875
0.21813
1
0.88
Si6
Si
0.6889
0.30373
0.44861
1
0.88
Si7
Si
0.5039
0.4046
0.1951
1
1.17
Si8
Si
0.4663
0.09638
0.52554
1
0.93
Si9
Si
0.7777
0.55142
0.33339
1
0.92
Si10
Si
0.36884
0.00001
0.37794
1
0.65
Si11
Si
0.1541
0.50214
0.35464
1
0.94
Si12
Si
0.8221
0.38557
0.1683
1
1.05
Si13
Si
0.5381
0.41447
0.424
1
1.6
Si14
Si
0.8892
0.37328
0.55406
1
0.85
Si15
Si
0.3487
0.46238
0.503
1
1.26
Si16
Si
0.9363
0.44089
0.3693
1
1.29
O1
O
0.638
0.5326
0.0329
1
1.07
O2
O
0.5926
0.166
0.3221
1
1.91
O3
O
0.9008
0.4015
0.2708
1
2.76
O4
O
0.6618
0.236
0.4841
1
1.5
O5
O
0.5436
0.145
0.493
1
1.74
O6
O
0.7546
0.3237
0.1668
1
1.41
O7
O
0.7534
0.4429
0.1182
1
1.72
O8
O
0.6365
0.2305
0.1751
1
1.24
O9
O
0.4366
0.4154
0.4794
1
1.84
O10
O
0.9431
0.3958
0.4641
1
1.61
O11
O
0.3965
0.1321
0.5894
1
1.04
O12
O
0.5605
0.4591
0.1489
1
1.64
O13
O
0.6119
0.6022
-0.1252
1
1.48
O14
O
0.7357
0.1251
0.4725
1
2.05
O15
O
0.4869
0.4187
0.3065
1
2.12
O16
O
0.3942
0.0661
0.4285
1
1.48
O17
O
0.7114
0.5353
0.2244
1
1.73
O18
O
0.6618
0.1137
0.1752
1
2.38
O19
O
0.4741
0.1588
0.1421
1
1.82
O20
O
0.5929
0.3488
0.4575
1
1.65
O21
O
0.5313
0.0435
0.5938
1
1.82
O22
O
0.255
0.4651
0.4069
1
2.14
O23
O
0.7727
0.5288
-0.0852
1
2.43
O24
O
0.6977
0.5644
0.4059
1
2.37
O25
O
0.1585
0.5697
0.4003
1
2.08
O26
O
0.7033
0.2962
0.3361
1
1.78
O27
O
0.558
0.3389
0.1887
1
1.64
O28
O
0.8602
0.498
0.3767
1
1.93
O29
O
0.0522
0.466
0.3707
1
2.84
O30
O
0.3415
0.0086
0.2609
1
2.31
O31
O
0.7965
0.3253
0.5173
1
1.73
O32
O
0.6054
0.4709
0.4705
1
2.92
N1
N
0.2428
0.7703
0.155
1
6.4
C1
C
0.3457
0.7267
0.1737
1
2.68
C2
C
0.5292
0.7219
0.1601
1
13.5
C3
C
0.3687
0.7103
0.2776
1
9.16
C4
C
0.4504
0.6122
0.2391
1
6.16
C5
C
0.4773
0.6709
0.2948
1
7.66
C6
C
0.2674
0.8296
0.2124
1
8.29
C7
C
0.5595
0.7035
0.2696
1
10.82
C8
C
0.3194
0.6723
0.1102
1
10.26
C9
C
0.4313
0.7629
0.1453
1
7.9
C10
C
0.425
0.63
0.1223
1
11.76
C11
C
0.1602
0.7437
0.1979
1
16.19
C12
C
0.5153
0.6654
0.1113
1
12.48
C13
C
0.2111
0.7845
0.0455
1
14.84
F1
F
0.7395
0.404
0.2683
0.317
1.97
F2
F
0.6632
0.4191
0.3659
0.262
1.97
F3
F
0.6473
0.414
0.2743
0.131
1.97
Edit this structure
Copyright © 2017 Structure Commission of the International Zeolite Association (
IZA-SC
)