Database of Zeolite Structures
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RHO
Framework Type
RHO
Building Scheme
RHO
Tiling
CIF
RHO
Framework
Rho, Hydrated
Pahasapaite
Rho, Deuterated Berylloarsenate
NMR
Silicon-29
Na-Rho, hydrated
XPD
Calculated pattern
Rho, Hydrated
Pahasapaite
Rho, Deuterated Berylloarsenate
3D Drawing
RHO
Framework
RHO
Tiling
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RHO
Reference Material
RHO
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RHO
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RHO
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RHO
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RHO
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RHO
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Powder Pattern
Framework Type
RHO
Powder Diffraction Pattern for Rho, Deuterated Berylloarsenate
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:
I 2 3
(# 197)
Cell parameters:
a
=
14.001 Å
b
=
14.001Å
c
=
14.001 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
[
Be
24
As
24
O
96
]
-
RHO
Refinement:
Combined X-ray and neutron Rietveld refinement, neutron R
wp
=0.041, X-ray R
wp
=0.145
Reference:
Parise, J.B., Corbin, D.R., Gier, T.E., Harlow, R.L., Abrams, L. and Von Dreele, R.B.
Zeolites
,
12
, 360-368 (1992)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
RB1
Rb
0.5
0
0
1
4.89
RB2
Rb
0.1903
0.1903
0.1903
1
7.74
RB3
Rb
0.3716
0.3716
0.3716
0.87
7.74
RB4
Rb
0.244
0
0
0.25
7.74
BE1
Be
0.2173
0.9311
0.3717
1
4.34
AS1
As
0.27446
0.12749
0.42737
1
0.79
O1
O
0.2296
0.2349
0.3988
1
1.5
O2
O
0.3882
0.1265
0.3899
1
0.95
O3
O
0.2852
0.1055
0.5429
1
4.42
O4
O
0.2094
0.0467
0.3679
1
1.34
D2O1
O2-(D2O)
0.244
0
0
0.1
4.74
D2O2
O2-(D2O)
0.066
0.066
0.066
0.23
4.74
D2O3
O2-(D2O)
0.441
0.441
0.441
0.07
4.74
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IZA-SC
)