Database of Zeolite Structures
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CGS
Framework Type
CGS
Building Scheme
CGS
Tiling
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CGS
Framework
Cobalt Gallium Phosphate-6
XPD
Calculated pattern
Cobalt Gallium Phosphate-6
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Powder Pattern
Framework Type
CGS
Powder Diffraction Pattern for Cobalt Gallium Phosphate-6
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
/c 1
(# 14)
Cell parameters:
a
=
14.365 Å
b
=
16.305Å
c
=
8.734 Å
α =
90°
β =
90.243°
γ =
90 °
Chemical Formula
|
(Quin)
4
|
[
Co
4
Ga
12
P
16
O
64
]
-
CGS
Quin = C
7
H
13
N = quinuclidine =
1-azabicyclo[2.2.2]octane
SMILES: C1CN2CCC1CC2
;
Images:
stick
or
Show Model
Refinement:
X-ray single crystal refinement. R = 0.0310, R
w
= 0.0365
Reference:
Cowley, A.R. and Chippindale, A.M.
Microporous Mesoporous Mat.
,
28
, 163-172 (1999)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Ga1
Ga
0.1365
0.0342
0.5716
0.53
1.0028
Ga2
Ga
0.04238
0.2716
0.6324
0.87
1.1765
Ga3
Ga
0.47446
-0.1263
0.5896
0.88
1.0659
Ga4
Ga
0.36576
0.1616
0.8134
0.72
1.1133
Co1
Co
0.1365
0.0342
0.5716
0.47
1.0028
Co2
Co
0.04238
0.2716
0.6324
0.13
1.1765
Co3
Co
0.47446
-0.1263
0.5896
0.12
1.0659
Co4
Co
0.36576
0.1616
0.8134
0.28
1.1133
P5
P
0.14798
0.1518
0.8485
1
1.3028
P6
P
0.35984
0.0307
0.5527
1
0.9949
P7
P
0.47275
0.2188
1.1099
1
0.9712
P8
P
-0.02864
0.1324
0.4143
1
1.0106
O1
O
0.4479
0.163
0.9765
1
1.7134
O2
O
0.464
-0.1709
0.7813
1
1.7528
O3
O
-0.0339
0.1972
0.5409
1
2.3687
O4
O
0.3701
-0.0628
0.5607
1
1.8634
O5
O
-0.0364
0.1735
0.2574
1
2.2582
O6
O
0.2498
0.1493
0.8965
1
2.8109
O7
O
0.1352
0.2251
0.7428
1
2.7714
O8
O
0.0883
0.1587
0.9916
1
2.9135
O9
O
0.1184
0.0727
0.7705
1
2.5345
O10
O
0.3842
0.253
0.6913
1
1.8239
O11
O
0.4197
0.0638
0.4221
1
1.7134
O12
O
0.0625
0.0856
0.4233
1
1.9187
O13
O
0.2599
0.0521
0.5152
1
2.1792
O14
O
0.392
0.0664
0.7056
1
2.0292
O15
O
0.4704
-0.2072
0.4434
1
1.5554
O16
O
0.1137
-0.0781
0.5674
1
1.8397
N1
N
0.2511
0.9653
0.013
0.483
6.1665
N2
N
0.2528
0.9332
0.236
0.517
8.1562
C1
C
0.177
0.963
0.119
0.483
12.2067
C2
C
0.167
0.882
0.189
0.483
11.9935
C3
C
0.2399
0.9008
-0.099
0.483
4.3584
C4
C
0.2491
0.8189
-0.028
0.483
4.6663
C5
C
0.338
0.952
0.087
0.483
9.538
C6
C
0.337
0.881
0.181
0.483
9.4038
C7
C
0.254
0.8269
0.148
0.483
6.9245
C8
C
0.254
0.8471
0.251
0.517
7.6114
C9
C
0.256
0.8053
0.097
0.517
7.9588
C10
C
0.3236
0.9609
0.136
0.517
6.7666
C11
C
0.3053
0.9362
-0.023
0.517
5.7165
C12
C
0.1654
0.9564
0.176
0.517
5.4717
C13
C
0.139
0.9113
0.039
0.517
4.1689
C14
C
0.225
0.8699
-0.028
0.517
5.3928
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IZA-SC
)