Database of Zeolite Structures
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*BEA
Framework Type
*BEA
Building Scheme
*BEA
Tiling
CIF
*BEA
Framework
Beta polymorph A, SiO
2
Framework
Beta polymorph B, SiO
2
Framework
XPD
Calculated pattern
Beta polymorph A, SiO
2
Framework
Beta polymorph B, SiO
2
Framework
3D Drawing
*BEA
Framework
*BEA
Tiling
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*BEA
Reference Material
*BEA
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*BEA
Framework
*BEA
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*BEA
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*BEA
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*BEA
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Powder Pattern
Framework Type
*BEA
Powder Diffraction Pattern for Beta polymorph A, SiO
2
Framework
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 4
1
2 2
(# 91)
Cell parameters:
a
=
12.66139 Å
b
=
12.66139Å
c
=
26.40612 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
|
Na
7
|
[
Al
7
Si
57
O
128
]
-
*BEA
Refinement:
DLS refinement.
Reference:
Newsam, J.M., Treacy, M.M.J., Koetsier, W.T. and de Gruyter, C.B.
Proc. R. Soc. Lond. A
,
420
, 375-405 (1988)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
SI1
Si
0.33694
0.79277
0.05619
1
0
SI2
Si
0.33711
0.54031
0.05606
1
0
SI3
Si
0.71647
0.793
0.05872
1
0
SI4
Si
0.71656
0.54076
0.05884
1
0
SI5
Si
0.95425
0.79364
0.05555
1
0
SI6
Si
0.95434
0.5404
0.05556
1
0
SI7
Si
0.14278
0.85722
0.125
1
0
SI8
Si
0.52836
0.85702
0.12552
1
0
SI9
Si
0.52842
0.47158
0.125
1
0
O10
O
0.33623
0.66652
0.06515
1
0
O11
O
0.33454
0.81732
-0.00385
1
0
O12
O
0.23433
0.84457
0.08279
1
0
O13
O
0.44268
0.84276
0.08069
1
0
O20
O
0.33456
0.51612
-0.00402
1
0
O21
O
0.23464
0.48822
0.08264
1
0
O22
O
0.44301
0.49038
0.08043
1
0
O30
O
0.71891
0.6669
0.06809
1
0
O31
O
0.83544
0.83902
0.06074
1
0
O32
O
0.64609
0.84874
0.10222
1
0
O40
O
0.83559
0.4949
0.06084
1
0
O41
O
0.64627
0.48518
0.10242
1
0
O50
O
1
0.82149
0
1
0
O51
O
0.95304
0.66702
0.06321
1
0
O52
O
1.02844
0.84708
0.09824
1
0
O60
O
1
0.51256
0
1
0
O61
O
1.02874
0.48708
0.09821
1
0
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IZA-SC
)