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
Materials
RHO
Reference Material
RHO
All materials
Framework
RHO
Framework
RHO
List of T-atoms
RHO
CS and Vertex Symbols
RHO
Accessible Volumes and Areas
RHO
Tiling Arrangement
IZA-SC
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Powder Pattern
Framework Type
RHO
Powder Diffraction Pattern for Rho, Hydrated
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 m -3 m
(# 229)
Cell parameters:
a
=
15.031 Å
b
=
15.031Å
c
=
15.031 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
|
(Na,Cs)
12
(H
2
O)
44
|
[
Al
12
Si
36
O
96
]
-
RHO
Refinement:
X-ray Rietveld refinement, R
wp
=0.18, R
F
=0.134
Reference:
McCusker, L.B. and Baerlocher, Ch.
Proc. 6th Int. Zeolite Conf.
,
, pp. 812-822 (1984)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
NA1
Na
0.2768
0.2768
0.2768
0.18
6.3
CS1
Cs
0
0
0.3554
0.26
0.3
SI1
Si
0.25
0.1042
0.3958
0.749
3.2
AL1
Al
0.25
0.1042
0.3958
0.251
3.2
O1
O
0.2107
0
0.3834
1
5.6
O2
O
0.1652
0.1652
0.3654
1
5.6
H2O1
O2-(H2O)
0.0749
0.2096
0.2096
0.204
5.5
H2O2
O2-(H2O)
0.0542
0.0542
0.2756
0.504
15
H2O3
O2-(H2O)
0.0636
0.118
0.1735
0.305
15
H2O4
O2-(H2O)
0
0
0.4295
0.717
15
H2O5
O2-(H2O)
0
0
0
0.7
15
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IZA-SC
)