Database of Zeolite Structures
 
Framework Type GIS
Powder Diffraction Pattern for Na-P1
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   (# 141)   
  Cell parameters: a = 10.043 Å b = 10.043Å c = 10.043 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray twinned crystal refinement, R=0.05
  Reference: Baerlocher, Ch. and Meier, W.M.
Z. Kristallogr., 135, 339-354 (1972)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA4
Na
0.014 0.1895 0.494 0.32 4.4
  NA5
Na
0.359 0.0825 0.221 0.42 4
  SI1
Si
0.1438 0.1692 -0.0181 0.62 1.1
  SI2
Si
0.1683 0.3579 0.2329 0.62 0.9
  AL1
Al
0.1438 0.1692 -0.0181 0.38 1.1
  AL2
Al
0.1683 0.3579 0.2329 0.38 0.9
  O1
O
0.189 0.0215 0.041 1 0.5
  O2
O
0.1885 0.2895 0.088 1 1.3
  O3
O
0.009 0.346 0.2985 1 2.5
  O4
O
0.283 0.2845 0.33 1 2.8
  H2O1
O2-(H2O)
0 0 0.325 0.42 5.9
  H2O2
O2-(H2O)
0.2195 0.024 0.3515 0.7 2.6
  H2O3
O2-(H2O)
0.293 0.002 0.352 0.5 4