Database of Zeolite Structures
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EMM-37, as made
from observed XRD pattern
EMM-37 as-made
XPD
Calculated pattern
EMM-37, as made
Measured pattern
EMM-37. as made
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Powder Pattern
Framework Type
ETV
Powder Diffraction Pattern for EMM-37, as made
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)
Cell parameters:
a
=
8.8317 Å
b
=
9.6344Å
c
=
10.6525 Å
α =
104.41°
β =
99.8°
γ =
99.5 °
Chemical Formula
|
BDMP+2
|
[
Si
12
Al
2
O
28
]
-
ETV
BDMP+2 = C
12
H
26
N
2
+2
= 3,3'-Bi[1,1-dimethylpyrrodidinium]
=
3-(1,1-dimethylpyrrolidin-1-ium-3-yl)-1,1-dimethylpyrrolidin-1-ium
SMILES: C1C(C[N+](C1)(C)C)C2C[N+](CC2)(C)C
;
Images:
stick
or
Show Model
Refinement:
X-ray Rietveld refinement, R
P
= 0.052, R
wP
= 0.063, GOF = 1.03
Reference:
Kapaca, E., Burton, A., Terefenko, E., Vroman, H., Weston, S. C., Kochersperger, M., Afeworki, M., Paur, C., Koziol, L., Ravikovitch, P., Xu, H., Zou, X., Willhammar, T.
Inorg. Chem.
,
58
, 12854-12858 (2019)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Si1
Si
0.5228
0.2686
0.1408
1
0.93
Si2
Si
0.5564
0.4216
-0.1934
1
0.93
Si3
Si
0.5707
0.0531
0.3217
1
0.93
Si4
Si
0.3154
-0.1888
0.3683
1
0.93
Si5
Si
0.3084
0.1845
-0.1433
1
0.93
Si6
Si
0.0019
-0.2948
0.1565
1
0.93
Si7
Si
0.8037
0.3985
0.0399
1
0.93
O1
O
0.5129
0.1663
0.2347
1
1.15
O2
O
0.6911
0.4507
-0.0655
1
1.15
O3
O
0.4067
-0.0566
0.3261
1
1.15
O4
O
0.3947
0.3211
-0.1864
1
1.15
O5
O
0.3947
0.1858
0.0033
1
1.15
O6
O
0.1331
-0.2241
0.2964
1
1.15
O7
O
0.4703
0.4182
0.2112
1
1.15
O8
O
0.6947
0.3015
0.1158
1
1.15
O9
O
0.1221
0.195
-0.1541
1
1.15
O10
O
0.6651
0.1379
0.4729
1
1.15
O11
O
0.6885
-0.0339
0.245
1
1.15
O12
O
0.3936
-0.3344
0.3266
1
1.15
O13
O
0.9208
0.5417
0.1545
1
1.15
O14
O
0.9088
0.2961
-0.0335
1
1.15
C1
C
0.0331
0.4343
0.4812
1
11.6
C2
C
0.228
0.4695
0.5444
1
11.6
C3
C
0.2804
0.3482
0.4352
1
11.6
C4
C
0.1201
0.2234
0.3577
1
11.6
C5
C
-0.0254
0.3125
0.3426
1
11.6
C6
C
0.0804
0.1127
0.4375
1
11.6
C7
C
0.1262
0.1533
0.2078
1
11.6
Edit this structure
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IZA-SC
)