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 B, 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:
C 1 2/c 1
(# 15)
Cell parameters:
a
=
17.89654 Å
b
=
17.92002Å
c
=
14.32815 Å
α =
90°
β =
114.803°
γ =
90 °
Chemical Formula
[
[Al - Si - O]
]
-
*BEA
Refinement:
DLS refinement
Comment:
unique axis b, cell choice 1
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
0.60607
-0.02206
0.38112
1
0
Si2
Si
0.48332
-0.14331
0.3793
1
0
Si3
Si
0.79947
-0.21324
0.38677
1
0
Si4
Si
0.67495
-0.3375
0.38698
1
0
Si5
Si
0.91268
-0.33092
0.38275
1
0
Si6
Si
0.79042
-0.45237
0.38137
1
0
Si7
Si
0.5
0.11084
0.25
1
0
Si8
Si
0.69528
-0.08286
0.25183
1
0
Si9
Si
0.5
-0.27723
0.25
1
0
O10
O
0.53355
-0.08379
0.34288
1
0
O11
O
0.6481
-0.01901
0.5053
1
0
O12
O
0.5679
0.05877
0.33609
1
0
O13
O
0.67468
-0.0442
0.34022
1
0
O20
O
0.52172
-0.14542
0.50343
1
0
O21
O
0.38767
-0.11893
0.33454
1
0
O22
O
0.49034
-0.22518
0.33637
1
0
O30
O
0.73217
-0.27927
0.36034
1
0
O31
O
0.88292
-0.24602
0.38479
1
0
O32
O
0.76334
-0.14756
0.30231
1
0
O33
O
0.81946
-0.18012
0.49966
1
0
O40
O
0.70644
-0.42162
0.384
1
0
O41
O
0.58064
-0.32929
0.30322
1
0
O51
O
0.83406
-0.38605
0.34599
1
0
O52
O
0.95542
-0.33707
0.3036
1
0
O60
O
0.76924
-0.52075
0.30078
1
0
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IZA-SC
)