Database of Zeolite Structures
PDF
Download PDF's of
APD
Framework Type
APD
Building Scheme
APD
Tiling
CIF
Download CIF's of
APD
Framework
AlPO-D
NMR
Phosphorus-31
AlPO-CJ3, as-made
AlPO-D, calcined
XPD
Calculated pattern
AlPO-D
3D Drawing
APD
Framework
APD
Tiling
Materials
APD
Reference Material
APD
All materials
Framework
APD
Framework
APD
List of T-atoms
APD
CS and Vertex Symbols
APD
Accessible Volumes and Areas
APD
Tiling Arrangement
IZA-SC
All Codes
Intergrowths
Privacy
Terms & Credits
Help
Characteristic Units
CBU's
Chains
Loop configurations
SBU's
Tiles
OSDA's
Home
»
Codes
»
Powder Pattern
Framework Type
APD
Powder Diffraction Pattern for AlPO-D
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 c a 2
1
(# 29)
Cell parameters:
a
=
19.187 Å
b
=
8.576Å
c
=
9.804 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
[
Al
16
P
16
O
64
]
-
APD
Refinement:
X-ray Rietveld refinement, R
wp
=0.203, R
F
=0.115
Reference:
Keller, E.B., Meier, W.M. and Kirchner, R.M.
Solid State Ionics
,
43
, 93-102 (1990)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
AL11
Al
0.531
0.065
0.133
1
9.1
AL12
Al
0.572
0.574
0.385
1
4
AL21
Al
0.721
0.074
0.32
1
0.2
AL22
Al
0.681
0.572
0.026
1
0.8
P11
P
0.574
-0.031
0.421
1
6.9
P12
P
0.529
0.473
0.107
1
2.5
P21
P
0.68
-0.051
0.04
1
0.8
P22
P
0.724
0.453
0.298
1
0.2
O11
O
0.645
0.035
0.406
1
1.3
O12
O
0.593
0.526
0.031
1
0
O21
O
0.531
0.284
0.13
1
8.7
O22
O
0.584
0.784
0.418
1
4
O31
O
0.54
0.017
0.553
1
6.4
O32
O
0.469
0.518
0.019
1
0.8
O41
O
0.532
0.018
0.302
1
5.1
O42
O
0.524
0.557
0.238
1
0.8
O51
O
0.691
0.773
0.06
1
4
O52
O
0.734
0.278
0.32
1
8
O61
O
0.601
-0.015
0.045
1
0.7
O62
O
0.655
0.498
0.361
1
9.4
O71
O
0.716
0.025
0.154
1
0.8
O72
O
0.724
0.478
0.15
1
0.8
O81
O
0.789
-0.01
0.405
1
0.8
O82
O
0.719
0.539
0.869
1
6.2
Edit this structure
Copyright © 2017 Structure Commission of the International Zeolite Association (
IZA-SC
)