CGF
Framework Type
CGF
Powder Diffraction Pattern for Cobalt Gallium Phosphate-5
Set Parameters:
2θ range:
°
-
°
Step size:
°2θ
Background:
Polarization factor:
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
Peak shape parameters
(The pattern is calculated using a pseudo Voigt function with FWHM = sqrt(U + V tan θ + W tan
2
θ))
:
Peak range:
FWHM
Mixing parameter:
%
Peak width:
set UVW at
calculate UVW such that
U =
FWHM =
at
°2θ
V =
FWHM =
at
°2θ
W =
FWHM =
at
°2θ
Intensity scale:
Reference peak, scaled to
,
is the
highest peak in 2θ range
peak closest to
°2θ
reflection (hkl)
Plot parameters:
Output:
on screen
Postscript
HP-GL
ASCII
Size:
small (410x310)
medium (640x480)
large (880x650)
Intensity axis:
-
List hkl and intensity
plot powder pattern
Crystal data:
Composition:
|
(C
6
H
14
N
2
)
8
|
[
(Co
16
Ga
20
P
36
O
144
]
Refined composition:
|
C
48
N
16
|
[
Co
16
Ga
20
P
36
O
144
]
Space group:
I12/a1
(# 15)
Setting:
Cell parameters:
a
=
15.002Å
b
=
17.688Å
c
=
15.751Å
α =
90°
β =
97.24°
γ =
90°
Refinement:
X-ray single crystal refinement, R = 0.0704, R
w
= 0.0850
Reference:
Chippindale, A.M. and Cowley, A.R.
Zeolites
,
18
, 176-181 (1997)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Ga1
Ga
0.75
0.29158
0.5
0.5556
1.47
Co1
Co
0.75
0.29158
0.5
0.4444
1.47
Ga2
Ga
0.32984
0.16923
0.18415
0.5556
1.63
Co2
Co
0.32984
0.16923
0.18415
0.4444
1.63
Ga3
Ga
0.42202
0.24028
0.41491
0.5556
1.45
Co3
Co
0.42202
0.24028
0.41491
0.4444
1.45
Ga4
Ga
0.63514
0.18555
0.24494
0.5556
1.63
Co4
Co
0.63514
0.18555
0.24494
0.4444
1.63
Ga5
Ga
0.52517
0.40972
0.18697
0.5556
2.16
Co5
Co
0.52517
0.40972
0.18697
0.4444
2.16
P6
P
0.3610
0.3363
0.2520
1.0
1.71
P7
P
0.5774
0.2711
0.0693
1.0
1.47
P8
P
0.6822
0.3463
0.3219
1.0
2.04
P9
P
0.4756
0.0936
0.3070
1.0
1.55
P10
P
0.25
0.2890
0.5
1.0
1.98
O1
O
0.8277
0.2249
0.4553
1.0
3.05
O2
O
0.7114
0.3640
0.4163
1.0
2.79
O3
O
0.4202
0.0985
0.2176
1.0
2.56
O4
O
0.2386
0.1480
0.2461
1.0
3.96
O5
O
0.3731
0.2661
0.1994
1.0
3.44
O6
O
0.2983
0.1586
0.0673
1.0
2.83
O7
O
0.4106
0.3250
0.3414
1.0
2.87
O8
O
0.4355
0.1478
0.3661
1.0
2.98
O9
O
0.5182
0.2648
0.4944
1.0
3.17
O10
O
0.3135
0.2365
0.4613
1.0
3.71
O11
O
0.5739
0.2161
0.1438
1.0
3.06
O12
O
0.5731
0.1122
0.2980
1.0
3.34
O13
O
0.6558
0.2632
0.3183
1.0
4.52
O14
O
0.7439
0.1405
0.2334
1.0
4.74
O15
O
0.6056
0.3974
0.2906
1.0
3.55
O16
O
0.4009
0.4030
0.2099
1.0
2.23
O17
O
0.5493
0.3499
0.0891
1.0
2.68
O18
O
0.5272
0.5173
0.1552
1.0
2.59
N1
N
0.8049
0.5046
0.0671
1.0
2.65
N2
N
0.987
0.0584
0.0420
1.0
6.21
C1
C
0.854
0.512
-0.009
0.5
4.69
C2
C
0.740
0.569
0.066
0.5
4.23
C3
C
0.753
0.4328
0.060
0.5
4.38
C4
C
0.7130
0.519
0.088
0.5
5.0
C6
C
0.807
0.4306
0.024
0.5
5.02
C5
C
0.831
0.564
0.010
0.5
5.01
C7
C
0.993
0.074
-0.049
0.5
7.1
C8
C
0.917
-0.001
0.049
0.5
4.87
C9
C
1.075
0.027
0.081
0.5
13.81
C10
C
1.018
-0.004
0.102
0.5
6.3
C11
C
1.059
0.075
-0.011
0.5
5.74
C12
C
0.907
0.031
-0.016
0.5
16.12
Copyright © 2007 Structure Commission of the International Zeolite Association (
IZA-SC
)
