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
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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 Pahasapaite
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
=
13.781 Å
b
=
13.781Å
c
=
13.781 Å
α =
90°
β =
90°
γ =
90 °
Chemical Formula
[
Be
24
P
24
O
96
]
-
RHO
Refinement:
X-ray single crystal refinement, R
w
=0.035
Reference:
Rouse, R.C., Peacor, D.R. and Merlino, S.
Am. Mineral.
,
74
, 1195-1202 (1989)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
LI
Li
0.3013
0.3013
0.3013
1
1.89
LI
Li
0.3013
0.3013
0.3013
1
1.89
NA
Na
0.3615
0.0357
0.0301
0.008
3.66
K1
K
0.3615
0.0357
0.0301
0.05
3.66
CA
Ca
0.3615
0.0357
0.0301
0.229
3.66
BE
Be
0.4207
0.121
0.2675
1
0.76
P1
P
0.2771
0.124
0.4224
1
0.71
O1
O
0.2246
0.2178
0.3914
1
0.95
O2
O
0.3781
0.1245
0.3766
1
1.16
O3
O
0.3791
0.0329
0.2041
1
1.18
O4
O
0.216
0.0383
0.3889
1
1.16
H2O1
O2-(H2O)
0.3851
0.3851
0.3851
1
3.08
H2O2
O2-(H2O)
0.4768
0
0
0.5
1.68
H2O3
O2-(H2O)
0.2171
0.1095
0.0714
0.5
4
H2O4
O2-(H2O)
0.2459
0.0765
0.0504
0.5
6.58
Edit this structure
Copyright © 2017 Structure Commission of the International Zeolite Association (
IZA-SC
)