Database of Zeolite Structures
PDF
Download PDF's of
JRY
Building Scheme
JRY
Tiling
CIF
Download CIF's of
JRY
Framework
CoAPO-CJ40
XPD
Calculated pattern
CoAPO-CJ40
3D Drawing
JRY
Framework
JRY
Tiling
Materials
JRY
Reference Material
JRY
All materials
Framework
JRY
Framework
JRY
List of T-atoms
JRY
CS and Vertex Symbols
JRY
Accessible Volumes and Areas
JRY
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
JRY
Powder Diffraction Pattern for CoAPO-CJ40
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 2
1
2
1
2
(# 18)
Cell parameters:
a
=
8.2319 Å
b
=
9.165Å
c
=
17.58 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
|
DEA
|
[
Co
2
Al
10
P
12
O
48
]
-
JRY
DEA = C
4
H
11
N = diethylamine =
N-ethylethanamine
SMILES: CCNCC
;
Images:
stick
or
Show Model
Refinement:
X-ray single crystal refinement, R(F) = 0.115, R(wF
2
) = 0.203
Reference:
Song, X.W., Li, Y., Gan, L., Wang, Z.P., Yu, J.H. and Xu, R.R
Angew. Chem. Int. Ed.
,
48
, 314-317 (2009)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Co1
Co
0.6387
-0.8688
0.0661
1
2.92
Al1
Al
0.6387
-0.8688
0.0661
1
2.92
Al2
Al
0.0603
-0.0878
0.0316
1
1.82
Al3
Al
0.9426
-0.0853
0.333
1
0.87
P1
P
0.6335
-0.1311
0.4288
1
2.13
P2
P
0.4293
-0.0905
-0.0268
1
2.05
P3
P
0.9359
-0.9154
0.1727
1
1.89
O1
O
0.5357
-0.0331
0.036
1
3.87
O2
O
0.4857
-0.242
-0.0495
1
4.18
O3
O
0.2554
-0.0979
0.0011
1
3.79
O4
O
0.0486
-0.9877
0.1146
1
3
O5
O
0.9925
-0.7587
0.1826
1
4.58
O6
O
0.7616
-0.9211
0.1459
1
3.95
O7
O
0.9519
-0.9892
0.2483
1
3.95
O8
O
0.0662
-0.0051
0.4024
1
3.55
O9
O
0.7348
-0.087
0.3598
1
2.84
O10
O
0.5555
-0.9943
0.4614
1
3.87
O11
O
0.7385
-0.205
0.4888
1
3
O12
O
0.5018
-0.2332
0.4001
1
4.18
N1
N
0.506
0.507
0.253
1
16.58
C1
C
0.531
0.738
0.201
1
10.19
C2
C
0.635
0.604
0.22
1
6.16
C3
C
0.64
0.413
0.2783
1
5.84
C4
C
0.545
0.278
0.302
1
11.84
Edit this structure
Copyright © 2017 Structure Commission of the International Zeolite Association (
IZA-SC
)