Database of Zeolite Structures
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IWW
Framework Type
IWW
Building Scheme
IWW
Tiling
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IWW
Framework
ITQ-22
XPD
Calculated pattern
ITQ-22
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IWW
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IWW
Tiling
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IWW
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IWW
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IWW
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IWW
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IWW
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IWW
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IWW
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IZA-SC
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Powder Pattern
Framework Type
IWW
Powder Diffraction Pattern for ITQ-22
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 b a m
(# 55)
Cell parameters:
a
=
42.1326 Å
b
=
12.9885Å
c
=
12.6814 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
[
Si
89.8
Ge
22.2
O
224
]
-
IWW
Refinement:
X-ray powder refinement, R
wp
= 0.11
Reference:
Corma, A., Rey, F., Valencia, S., Jorda, J.L. and Rius, J.
Nature Mater.
,
2
, 493-497 (2003)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
T1
Si
0.385
0.9154
0.1275
1
2.54
T2
Si
0.4226
0.6981
0.1277
1
2.54
T3
Si
0.3564
0.5802
0.125
1
2.54
T4
Si
0.3189
0.7891
0.1225
1
2.54
T5
Si
0.3839
0.8951
0.5
1
1.22
T6
Si
0.4198
0.6952
0.5
1
1.22
T7
Si
0.3571
0.5625
0.5
1
1.22
T8
Si
0.319
0.7708
0.5
1
1.22
T9
Si
0.3506
0.4197
0.298
1
1.22
T10
Si
0.3788
0.0563
0.3157
1
1.22
T11
Si
0.2796
0.859
0.3139
1
1.22
T12
Si
0.4631
0.6216
0.3125
1
1.22
T13
Si
0.2892
0.3018
0.3767
1
1.22
T14
Si
0.3074
0.0734
0.3764
1
1.22
T15
Si
0.4044
0.2755
0.3769
1
1.22
T16
Si
0.4667
0.3964
0.3765
1
1.22
O1
O
0.413
0.8239
0.1461
1
3.19
O2
O
0.3835
0.953
0
1
3.19
O3
O
0.3501
0.8612
0.1655
1
3.19
O4
O
0.3903
0.0226
0.2014
1
3.19
O5
O
0.429
0.6754
0
1
3.19
O6
O
0.3898
0.6363
0.1718
1
3.19
O7
O
0.4555
0.6668
0.1978
1
3.19
O8
O
0.3626
0.5441
0
1
3.19
O9
O
0.3256
0.6622
0.1451
1
3.19
O10
O
0.3448
0.4721
0.186
1
3.19
O11
O
0.3073
0.8194
0
1
3.19
O12
O
0.2871
0.8218
0.1966
1
3.19
O13
O
0.4133
0.8167
0.5
1
3.19
O14
O
0.3496
0.8419
0.5
1
3.19
O15
O
0.388
0.9651
0.3968
1
3.19
O16
O
0.3922
0.611
0.5
1
3.19
O17
O
0.4442
0.6762
0.4054
1
3.19
O18
O
0.3318
0.6549
0.5
1
3.19
O19
O
0.3511
0.4968
0.3953
1
3.19
O20
O
0.2987
0.7909
0.3964
1
3.19
O21
O
0.3194
0.3504
0.3173
1
3.19
O22
O
0.3818
0.3487
0.308
1
3.19
O23
O
0.3413
0.0815
0.3182
1
3.19
O24
O
0.3996
0.1552
0.3486
1
3.19
O25
O
0.2416
0.8491
0.3207
1
3.19
O26
O
0.2894
0.9788
0.3214
1
3.19
O27
O
0.457
0.4985
0.3122
1
3.19
O28
O
0.4993
0.6497
0.3419
1
3.19
O29
O
0.2912
0.3267
0.5
1
3.19
O30
O
0.2897
0.181
0.3462
1
3.19
O31
O
0.3131
0.0524
0.5
1
3.19
O32
O
0.3962
0.2837
0.5
1
3.19
O33
O
0.4411
0.3061
0.3628
1
3.19
O34
O
0.4704
0.4195
0.5
1
3.19
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Copyright © 2017 Structure Commission of the International Zeolite Association (
IZA-SC
)