Database of Zeolite Structures
 
Framework Type CZP
Powder Diffraction Pattern for Chiral Sodium Zincophosphate, P6122
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 61 2 2   (# 178)   
  Cell parameters: a = 10.4797 Å b = 10.4797Å c = 15.089 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula |Na12 (H2O)12 | [Zn12P12O48]-CZP
  Refinement: X-ray single crystal refinement, R = 0.0599, Rw = 0.0529
  Reference: Harrison, W.T.A., Gier, T.E., Stucky, G.D., Broach, R.W. and Bedard, R.A.
Chem. Mater., 8, 145-151 (1996)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Zn1
Zn
0.8414 0.6827 0.25 1 1.44
  Zn2
Zn
0.5071 0.4929 0.41667 1 1.56
  P1
P
0.8324 0.5912 0.4409 1 1.6
  O1
O
0.805 0.5403 0.3439 1 1.82
  O2
O
1.0485 0.8019 0.2185 1 2.01
  O3
O
0.689 0.571 0.4808 1 2.59
  O4
O
0.873 0.489 0.491 1 2.46
  Na1
Na
0.668 0.336 0.25 0.53 2.92
  Na2
Na
0.602 0.336 0.235 0.24 2.92
  O5
O
0.07 0.033 0.08333 0.1 2.92
  O6
O
0.41 0.302 0.161 0.29 2.92
  O7
O
0.076 0 0 0.24 2.92
  O8
O
0.425 0.247 0.117 0.3 2.92