Database of Zeolite Structures
 
Framework Type CZP
Powder Diffraction Pattern for Chiral Sodium Zincophosphate, P6522
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 65 2 2   (# 179)   
  Cell parameters: a = 10.412 Å b = 10.412Å c = 15.184 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula |Na2.04 (H2O)4.08 | [Zn12P12O48]-CZP
  Refinement: X-ray single crystal refinement, R = 0.0690, Rw = 0.0810
  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
0.84243 0.68486 0.75 1 1.8
  Zn2
Zn
0.49697 0.99393 0.75 1 2.46
  P1
P
0.17041 0.40605 0.06011 1 1.74
  O1
O
0.1976 0.4597 0.1566 1 2.68
  O2
O
0.0519 0.2464 0.0547 1 2.61
  O3
O
0.313 0.4229 0.0201 1 2.37
  O4
O
0.1292 0.503 0.0075 1 2.84
  Na1
Na
0.6713 0.3425 0.75 0.34 8.76
  O5
O
0.5908 0.7113 0.3441 0.34 7.26