Database of Zeolite Structures
 
Framework Type RWY
Powder Diffraction Pattern for UCR-20 - GaGeS - TAEA
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: I -4 3 m   (# 229)   
  Cell parameters: a = 20.9352 Å b = 20.9352Å c = 20.9352 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray single crystal refinement, RF = 0.072, wRF2 = 0.23
  Reference: Zheng, N., Bu, X., Wang, B. and Feng, P.
Science, 298, 2366-2369 (2002)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Ga1
Ga
0.06653 0.1905 0.44781 1 2.84
  S2
S
0.13182 0.13182 0.385 1 3.29
  S3
S
0.01392 0.24862 0.37401 1 3.49
  S4
S
0 0.1242 0.5 1 3.61
  N1
N
-0.059 0.059 0.059 2.57 7.58