Database of Zeolite Structures
 
Framework Type EAB
Powder Diffraction Pattern for Bellbergite
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 =
       Calculate UVW such that FWHM =
    FWHM =
       FWHM =
   
Select Output
 
List hkl and intensity
List powder pattern
plot powder pattern
Crystal Data
  Space group: P 63/m m c   (# 194)   
  Cell parameters: a = 13.244 Å b = 13.244Å c = 15.988 Å
    α = 90° β = 90° γ = 120 °
  Refinement: X-ray single crystal refinement, R=0.122
  Reference: Rüdinger, B., Tillmanns, E. and Hentschel, G.
Miner. Petrol., 48, 147-152 (1993)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  K1
K
0.105 0.21 0.25 0.3333 5
  Ca1
Ca
0 0 0 1 0.5
  Ca2
Ca
0.33333 0.66667 0.13 1 6.9
  Sr1
Sr
0.33333 0.66667 0.9119 0.5 2.4
  Si1
Si
0.4215 0.3313 0.1538 0.5125 1.09
  Si2
Si
0.2476 0 0 0.5125 0.36
  Al1
Al
0.4215 0.3313 0.1538 0.4875 1.09
  Al2
Al
0.2476 0 0 0.4875 0.36
  O1
O
0.1127 0.225 0.003 1 0.5
  O2
O
0.6818 0 0.9158 1 1.2
  O3
O
0.958 0.327 0.25 1 2.1
  O4
O
0.2295 0.459 0.864 1 1.6
  O5
O
0.459 0.918 0.862 1 1.8
  H2O1
O2-(H2O)
0.33333 0.66667 0.75 1 5
  H2O2
O2-(H2O)
0.413 0.826 0.25 1 3.5
  H2O3
O2-(H2O)
0.587 0.174 0.965 0.5 3
  H2O4
O2-(H2O)
0.218 0.436 0.159 1 3.6
  H2O5
O2-(H2O)
0 0 0.643 1 1.4