Database of Zeolite Structures
 
Framework Type ZJN
Powder Diffraction Pattern for ZJM-9
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 =
    FWHM =
    FWHM =
  FWHM =
   
Select Output
 
List hkl and intensity
List powder pattern
plot powder pattern
Crystal Data
  Space Group: P 63/m   (# 176)   
  Cell parameters: a = 12.5314 Å b = 12.5314Å c = 25.9609 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula [Al30P30O120]-ZJN
  Refinement: Rietveld refinement
  Reference: Jiaqi Shi, Junyi Hu, Qinming Wu, Wei Chen, Zhuoya Dong, Anmin Zheng, Yanhang Ma, Xiangju Meng, and Feng-Shou Xiao
J. Am. Chem. Soc., 145, 7712−7717 (2023)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  P1
P
0.33683 0.4155966 0.6507454 1 1.908
  P2
P
0.251541 0.0016167 0.75 1 1.908
  P3
P
0.4102753 0.0805148 0.5484952 1 1.908
  Al1
Al
0.4160399 0.3380156 0.5515214 1 1.908
  Al2
Al
0.3307946 -0.081096 0.6490419 1 1.908
  Al3
Al
0.2490508 0.2550398 0.75 1 1.908
  O1
O
0.1166723 -0.0961705 0.75 1 2.807
  O2
O
0.3136376 -0.0104544 0.7023429 1 2.807
  O3
O
0.2638514 0.1271839 0.75 1 2.807
  O2
O
0.3136376 -0.0104544 0.7023429 1 2.807
  O4
O
0.5464934 0.1160026 0.5489486 1 2.807
  O5
O
0.4014755 0.1953805 0.5509737 1 2.807
  O6
O
0.4475674 0.5411127 0.6573444 1 2.807
  O7
O
0.3538145 0.3509051 0.6067192 1 2.807
  O8
O
0.3489376 0.0136622 0.4993628 1 2.807
  O9
O
0.3195398 0.3404395 0.6971329 1 2.807
  O10
O
0.3454266 0.0017424 0.5946808 1 2.807
  O11
O
0.2244707 0.4281237 0.6420063 1 2.807
  P1
P
0.33683 0.4155966 0.6507454 1 1.908
  P2
P
0.251541 0.0016167 0.75 1 1.908
  P3
P
0.4102753 0.0805148 0.5484952 1 1.908
  Al1
Al
0.4160399 0.3380156 0.5515214 1 1.908
  Al2
Al
0.3307946 -0.081096 0.6490419 1 1.908
  Al3
Al
0.2490508 0.2550398 0.75 1 1.908
  O1
O
0.1166723 -0.0961705 0.75 1 2.807
  O2
O
0.3136376 -0.0104544 0.7023429 1 2.807
  O3
O
0.2638514 0.1271839 0.75 1 2.807
  O2
O
0.3136376 -0.0104544 0.7023429 1 2.807
  O4
O
0.5464934 0.1160026 0.5489486 1 2.807
  O5
O
0.4014755 0.1953805 0.5509737 1 2.807
  O6
O
0.4475674 0.5411127 0.6573444 1 2.807
  O7
O
0.3538145 0.3509051 0.6067192 1 2.807
  O8
O
0.3489376 0.0136622 0.4993628 1 2.807
  O9
O
0.3195398 0.3404395 0.6971329 1 2.807
  O10
O
0.3454266 0.0017424 0.5946808 1 2.807
  O11
O
0.2244707 0.4281237 0.6420063 1 2.807


Copyright © 2017 Structure Commission of the International Zeolite Association (IZA-SC)