UWY
Framework Type
UWY
Powder Diffraction Pattern for IM-20
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:
|(C8N2H15)3|[Si42.2Ge17.8O120F2OH]
|
(C
8
N
2
H
15
)
+2
3
|[
Ge
17.8
Si
42.2
O
120
F
2
OH
]
-
UWY
Refined composition:
|
(H
2
O)
10.3
|[
Si
42.2
Ge
17.8
O
120
]
-
UWY
Space group:
Pmmm
(# 47)
Setting:
Cell parameters:
a
=
25.1611Å
b
=
12.7013Å
c
=
11.6001Å
α =
90.00°
β =
90.00°
γ =
90.00°
Refinement:
X-ray (synchrotron) Rietveld refinement, R
wp
=0.0432, R
exp
=0.0303, R
B
=0.111
Reference:
Dodin, M., Paillaud, J.-L., Lorgouillous, Y., Caullet, P., Elkaim, E. and Bats, N.
J. Am. Chem. Soc.
,
132
, 10221-10223 (2010)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Ge2
Ge
0.3446
0.3763
0.3616
0.6890
1.85
Ge2
Si
0.3446
0.3763
0.3616
0.3110
1.85
Ge3
Ge
0.2186
0.3771
0.3622
0.5940
1.85
Ge3
Si
0.2186
0.3771
0.3622
0.4060
1.85
Ge7
Ge
0.3877
0.1917
0.2220
0.1850
1.85
Ge1
Si
0.0598
0.1261
0.3678
0.8950
1.85
Ge1
Ge
0.0598
0.1261
0.3678
0.1050
1.85
Si4
Si
0.1946
0.1259
0.0000
0.8240
1.85
Si4
Ge
0.1946
0.1259
0.0000
0.1760
1.85
Si5
Si
0.3237
0.1260
0.0000
0.6380
1.85
Si5
Ge
0.3237
0.1260
0.0000
0.3620
1.85
Si6
Si
0.5000
0.1251
0.1364
0.9360
1.85
Si6
Ge
0.5000
0.1251
0.1364
0.0640
1.85
Si7
Si
0.3876
0.1922
0.2216
0.8150
1.85
Si8
Si
0.1596
0.1941
0.2456
0.8450
1.85
Si8
Ge
0.1596
0.1941
0.2456
0.1550
1.85
Si9
Si
0.3480
0.0000
0.3630
0.9390
1.85
Si9
Ge
0.3480
0.0000
0.3630
0.0610
1.85
Si10
Si
0.2198
0.0000
0.3623
0.6600
1.85
Si10
Ge
0.2198
0.0000
0.3623
0.3400
1.85
O1
O
0.3573
0.3467
0.5000
1.0000
2.13
O2
O
0.2597
0.1449
0.0000
1.0000
2.13
O3
O
0.5000
0.1384
0.0000
1.0000
2.13
O4
O
0.2058
0.3468
0.5000
1.0000
2.13
O5
O
0.2045
0.5000
0.3324
1.0000
2.13
O6
O
0.1816
0.0000
0.0000
1.0000
2.13
O7
O
0.2846
0.0000
0.3332
1.0000
2.13
O8
O
0.5000
0.0000
0.1683
1.0000
2.13
O9
O
0.1813
0.3068
0.2796
1.0000
2.13
O10
O
0.2815
0.3528
0.3319
1.0000
2.13
O11
O
0.1676
0.1800
0.8880
1.0000
2.13
O12
O
0.1931
0.1047
0.3075
1.0000
2.13
O13
O
0.2067
0.0000
0.5000
1.0000
2.13
O14
O
0.3745
0.1030
0.3097
1.0000
2.13
O15
O
0.4474
0.1821
0.1870
1.0000
2.13
O16
O
0.3602
0.0000
0.5000
1.0000
2.13
O17
O
0.3808
0.3030
0.2786
1.0000
2.13
O18
O
0.3491
0.1806
0.1125
1.0000
2.13
O19
O
0.3594
0.5000
0.3322
1.0000
2.13
O20
O
0.0000
0.1535
0.3321
1.0000
2.13
O21
O
0.0974
0.1859
0.2794
1.0000
2.13
O22
O
0.0697
0.0000
0.3573
1.0000
2.13
O23
O
0.0714
0.1649
0.5000
1.0000
2.13
O24
O
0.3365
0.0000
0.0000
1.0000
2.13
Ow1
O
0.0708
0.3744
0.2541
0.6330
6.71
Ow2
O
0.0342
0.0988
0.1105
0.7430
6.71
Ow3
O
0.5000
0.3352
0.0000
0.2700
6.71
Ow4
O
0.2814
0.2196
0.5000
0.5460
6.71
Ge1
Si
0.0598
0.1261
0.3678
0.8950
1.85
Ge1
Ge
0.0598
0.1261
0.3678
0.1050
1.85
Si4
Si
0.1946
0.1259
0.0000
0.8240
1.85
Si4
Ge
0.1946
0.1259
0.0000
0.1760
1.85
Si5
Si
0.3237
0.1260
0.0000
0.6380
1.85
Si5
Ge
0.3237
0.1260
0.0000
0.3620
1.85
Si6
Si
0.5000
0.1251
0.1364
0.9360
1.85
Si6
Ge
0.5000
0.1251
0.1364
0.0640
1.85
Si7
Si
0.3876
0.1922
0.2216
0.8150
1.85
Si8
Si
0.1596
0.1941
0.2456
0.8450
1.85
Si8
Ge
0.1596
0.1941
0.2456
0.1550
1.85
Si9
Si
0.3480
0.0000
0.3630
0.9390
1.85
Si9
Ge
0.3480
0.0000
0.3630
0.0610
1.85
Si10
Si
0.2198
0.0000
0.3623
0.6600
1.85
Si10
Ge
0.2198
0.0000
0.3623
0.3400
1.85
Copyright © 2007 Structure Commission of the International Zeolite Association (
IZA-SC
)
