ZON
Framework Type
ZON
Powder Diffraction Pattern for Tetramethylammonium ZAPO-M1
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:
|
((CH
3
)
4
N)
8
|
[
Al
24
P
32
Zn
8
O
128
]
Refined composition:
|
N
8
C
42.656
|
[
Al
25
Zn
7
P
32
O
128
]
Space group:
Pbca
(# 61)
Setting:
Cell parameters:
a
=
14.226Å
b
=
15.117Å
c
=
17.557Å
α =
90°
β =
90°
γ =
90°
Refinement:
X-ray single crystal refinement, R
w
=0.069
Reference:
Marler, B., Patarin, J. and Sierra, L.
Microporous Materials
,
5
, 151-159 (1995)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
AL1
Al
0.0532
0.7242
0.3410
0.639
1.56
AL2
Al
0.5553
0.9022
0.4377
0.794
1.56
AL3
Al
0.4234
0.6045
0.4306
0.814
1.56
AL4
Al
0.2111
0.8403
0.5378
0.877
1.56
ZN1
Zn
0.0532
0.7242
0.3410
0.361
1.69
ZN2
Zn
0.5553
0.9022
0.4377
0.206
1.69
ZN3
Zn
0.4234
0.6045
0.4306
0.186
1.69
ZN4
Zn
0.2111
0.8403
0.5378
0.123
1.69
P1
P
0.4499
0.4048
0.4262
1.0
2.25
P2
P
0.5849
0.1002
0.4250
1.0
2.25
P3
P
0.5607
0.7292
0.3412
1.0
2.25
P4
P
0.2147
0.6608
0.4506
1.0
2.25
O1
O
0.0432
0.0001
0.3975
1.0
3.46
O2
O
-0.5552
-0.0084
0.6006
1.0
3.46
O3
O
0.0523
-0.1605
0.3570
1.0
3.46
O4
O
-0.0558
0.3285
0.3629
1.0
3.46
O5
O
-0.0494
-0.3296
0.3703
1.0
3.46
O6
O
0.0279
0.1831
0.3709
1.0
3.46
O7
O
0.1970
0.1063
0.4270
1.0
3.46
O8
O
-0.3063
0.1053
0.4351
1.0
3.46
O9
O
-0.4573
0.1168
0.5049
1.0
3.46
O10
O
0.0359
0.1174
0.5247
1.0
3.46
O11
O
0.3383
0.1058
0.5102
1.0
3.46
O12
O
-0.0722
0.2158
0.2574
1.0
3.46
O13
O
0.3486
0.1715
0.3817
1.0
3.46
O14
O
0.2528
0.2463
0.4864
1.0
3.46
O15
O
0.1399
-0.1002
0.4770
1.0
3.46
O16
O
-0.1496
0.1936
0.3819
1.0
3.46
N1
N
0.3047
0.9264
0.2574
1.0
4.41
C1
C
0.2179
0.9808
0.2397
1.333
12.44
C2
C
0.3954
0.9835
0.2517
1.333
12.44
C3
C
0.3024
0.8446
0.2023
1.333
12.44
C4
C
0.3006
0.8984
0.3392
1.333
12.44
Copyright © 2007 Structure Commission of the International Zeolite Association (
IZA-SC
)
