Database of Zeolite Structures
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-CLO
Framework Type
-CLO
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-CLO
Tiling
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-CLO
Framework
Cloverite
XPD
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Cloverite
Measured pattern
Cloverite (GaPO4) (VS)
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-CLO
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-CLO
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-CLO
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-CLO
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-CLO
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-CLO
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-CLO
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-CLO
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-CLO
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Powder Pattern
Framework Type
-CLO
Powder Diffraction Pattern for Cloverite
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:
F m -3 c
(# 226)
Cell parameters:
a
=
51.712 Å
b
=
51.712Å
c
=
51.712 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
|
(HQuin+)
24
|
8
[
F
24
Ga
96
P
96
O
372
(OH)
24
]
8
-
-CLO
HQuin+ = C
7
H
14
N
+
= Quinuclidinium ion
=
1-azoniabicyclo[2.2.2]octane
SMILES: C1C[NH+]2CCC1CC2
Images:
stick
or
3D
Refinement:
X-ray single crystal refinement, R
w
=0.076
Reference:
Estermann, M., McCusker, L.B., Baerlocher, Ch., Merrouche, A. and Kessler, H.
Nature
,
352
, 320-323 (1991)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Ga1
Ga
0.1341
0.3275
0.278
1
1.098
Ga2
Ga
0.037
0.3507
0.3134
1
1.382
Ga3
Ga
0.0958
0.3654
0.2236
1
1.105
Ga4
Ga
0
0.3242
0.214
1
1.184
Ga5
Ga
0
0.3415
0.3801
1
2.487
P1
P
0.0888
0.3656
0.2818
1
1.358
P2
P
0
0.3226
0.2769
1
0.742
P3
P
0
0.3876
0.3414
1
1.153
P4
P
0.1336
0.321
0.218
1
0.616
P5
P
0.0446
0.3097
0.3556
1
0.955
O1
O
0.08
0.3669
0.2542
1
2.771
O2
O
0.1059
0.3885
0.2891
1
1.413
O3
O
0.1036
0.3404
0.2866
1
2.448
O4
O
0.0657
0.3679
0.2999
1
1.587
O5
O
0.136
0.3124
0.2458
1
3.995
O6
O
0.1339
0.297
0.2951
1
1.437
O7
O
0.1631
0.3439
0.2914
1
4.572
O8
O
0.0237
0.3376
0.283
1
3.427
O9
O
0
0.3158
0.2475
1
1.2
O10
O
0
0.2979
0.2916
1
2.045
O11
O
0.0521
0.3286
0.336
1
4.24
O12
O
0.0242
0.3795
0.3277
1
3.948
O13
O
0
0.3738
0.367
1
3.119
O14
O
0.1091
0.3344
0.2142
1
3.206
O15
O
0.0675
0.3692
0.201
1
2.258
O16
O
-0.0289
0.3436
0.2115
1
2.795
O17
O
0.0283
0.3231
0.3764
1
3.119
O18
O
0
0.4161
0.3461
1
1.169
O19
O
0
0.3461
0.415
1
5.993
F1
F
0.1335
0.3664
0.25
1
1.729
F2
F
0
0.3325
0.3297
1
2.037
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IZA-SC
)