Database of Zeolite Structures
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BIK
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BIK
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BIK
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BIK
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Bikitaite
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Bikitaite
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Powder Pattern
Framework Type
BIK
Powder Diffraction Pattern for Bikitaite
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:
P 1
(# 1)
Cell parameters:
a
=
8.6071 Å
b
=
4.954Å
c
=
7.5972 Å
α =
89.9°
β =
114.437°
γ =
89.988 °
Chemical Formula
|
Li
4
(H
2
O)
4
|
1/2
[
Al
4
Si
8
O
24
]
1/2
-
BIK
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)
LI1
Li
0.3095
0.3657
0.1469
0.91
1.07
LI2
Li
0.6995
0.8665
0.8722
0.947
1.36
SI11
Si
0.1057
0.8645
0.0975
0.957
0.42
SI12
Si
0.1038
0.8006
0.5049
0.981
0.51
SI22
Si
0.892
0.2984
0.4877
0.981
0.53
SI23
Si
0.6187
0.3748
0.063
0.975
0.41
AL13
Al
0.3803
0.8749
0.9374
1.061
0.58
AL21
Al
0.8985
0.3639
0.9065
1.066
0.58
O11
O
0.2641
0.7404
0.0569
1
0.85
O12
O
0.083
0.1853
0.0413
1
0.97
O13
O
0.1584
0.8281
0.3279
1
1.49
O14
O
0.0557
0.4868
0.5173
1
1.5
O15
O
0.2612
0.892
0.6947
1
1.34
O16
O
0.4496
0.194
0.0282
1
0.88
O21
O
0.7311
0.2433
0.9552
1
0.85
O22
O
0.9283
0.7021
0.9708
1
0.98
O23
O
0.8414
0.3281
0.6655
1
1.52
O24
O
0.9378
0.9872
0.4657
1
1.45
O25
O
0.7318
0.3929
0.2966
1
1.29
O26
O
0.5593
0.6797
0.9807
1
0.85
H11
H
0.323
0.2849
0.4786
1
5.96
H12
H
0.487
0.1784
0.4863
1
5.21
H21
H
0.6853
0.7872
0.542
1
6.35
H22
H
0.5214
0.6763
0.5343
1
5.28
O17
O
0.4083
0.3224
0.4347
1
2.35
O27
O
0.5991
0.8225
0.5871
1
2.35
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IZA-SC
)