BIK
Framework Type
BIK
Powder Diffraction Pattern for Bikitaite
Set Parameters:
2θ range:
°
-
°
Step size:
°2θ
Background:
Polarization factor:
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
Peak shape parameters
(The pattern is calculated using a pseudo Voigt function with FWHM = sqrt(U + V tan θ + W tan
2
θ))
:
Peak range:
FWHM
Mixing parameter:
%
Peak width:
set UVW at
calculate UVW such that
U =
FWHM =
at
°2θ
V =
FWHM =
at
°2θ
W =
FWHM =
at
°2θ
Intensity scale:
Reference peak, scaled to
,
is the
highest peak in 2θ range
peak closest to
°2θ
reflection (hkl)
Plot parameters:
Output:
on screen
Postscript
HP-GL
ASCII
Size:
small (410x310)
medium (640x480)
large (880x650)
Intensity axis:
-
List hkl and intensity
plot powder pattern
Crystal data:
Composition:
|
Li
2
(H
2
O)
2
|
[
Si
4
Al
2
O
12
]
Refined composition:
|
Li
1.86
(H
2
O)
2
|
[
Si
3.89
Al
2.13
O
12
]
Space group:
P1
(# 1)
Setting:
Cell parameters:
a
=
8.6071Å
b
=
4.9540Å
c
=
7.5972Å
α =
89.900°
β =
114.437°
γ =
89.988°
Refinement:
Neutron single crystal refinement, R
w
=0.056
Reference:
Ståhl, K., Kvick, Å. and Ghose, S.
Zeolites
,
9
, 303-311 (1989)
Atomic Coordinates:
Atom
Form Factor
x
y
z
PP
B(iso)
Copyright © 2007 Structure Commission of the International Zeolite Association (
IZA-SC
)
