Database of Zeolite Structures
 
Framework Type ETR
Powder Diffraction Pattern for ECR-34
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 c   (# 186)   
  Cell parameters: a = 21.03 Å b = 21.03Å c = 8.53 Å
    α = 90° β = 90° γ = 120 °
  Refinement: X-ray Rietveld refinement (synchrotron data), Rwp = 0.089, Rexp = 0.07
  Reference: Strohmaier, K. G. and Vaughan, D.E.W.
J. Am. Chem. Soc., 125, 16035-16039 (2003)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Si1
Si
0.745051 0.105905 0.016454 0.76 1.36
  Si2
Si
0.667197 0.184656 0.15102 0.76 1.36
  Si3
Si
0.641642 0.972046 0.228717 0.76 1.36
  Si4
Si
0.614316 0.073991 0.442533 0.76 1.36
  Ga1
Ga
0.745051 0.105905 0.016454 0.24 1.36
  Ga2
Ga
0.667197 0.184656 0.15102 0.24 1.36
  Ga3
Ga
0.641642 0.972046 0.228717 0.24 1.36
  Ga4
Ga
0.614316 0.073991 0.442533 0.24 1.36
  O1
O
0.744666 0.073572 0.837685 1 1.62
  O2
O
0.83057 0.16943 0.062038 1 1.62
  O3
O
0.690915 0.142401 0.014308 1 1.62
  O4
O
0.715897 0.04216 0.156056 1 1.62
  O5
O
0.725315 0.274653 0.146153 1 1.62
  O6
O
0.58388 0.167856 0.098776 1 1.62
  O7
O
0.662541 0.147879 0.329352 1 1.62
  O8
O
0.584426 0.915693 0.092594 1 1.62
  O9
O
0.595002 -0.00019 0.338508 1 1.62
  O10
O
0.534151 0.068391 0.491326 1 1.62
  K1
K
0.544904 0.455098 0.848571 0.616313 6.5
  K2
K
0.384429 0.192215 0.539995 0.863687 9.72