Database of Zeolite Structures
 
Framework Type BIK
Powder Diffraction Pattern for Bikitaite
Input Parameters
  Wavelength:  or
  2θ range:
  Step size:
  Polarization factor:
  Background:
  Reference peak is
    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 tan2θ)
  Mixing parameter (n): %
  Peak range: FWHM
  Peak width:
    set UVW at: U =   V =   W =
    FWHM =
    FWHM =
  FWHM =
   
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 |Li4 (H2O)4|1/2 [Al4Si8O24]1/2-BIK
  Refinement: Neutron single crystal refinement, Rw=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