Database of Zeolite Structures
 
Framework Type JRY
Powder Diffraction Pattern for CoAPO-CJ40
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 21 21 2   (# 24)   
  Cell parameters: a = 8.2319 Å b = 9.165Å c = 17.58 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray single crystal refinement, R(F) = 0.115, R(wF2) = 0.203
  Reference: Song, X.W., Li, Y., Gan, L., Wang, Z.P., Yu, J.H. and Xu, R.R
Angew. Chem. Int. Ed., 48, 314-317 (2009)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Co1
Co
0.6387 -0.8688 0.0661 1 2.92
  Al1
Al
0.6387 -0.8688 0.0661 1 2.92
  Al2
Al
0.0603 -0.0878 0.0316 1 1.82
  Al3
Al
0.9426 -0.0853 0.333 1 0.87
  P1
P
0.6335 -0.1311 0.4288 1 2.13
  P2
P
0.4293 -0.0905 -0.0268 1 2.05
  P3
P
0.9359 -0.9154 0.1727 1 1.89
  O1
O
0.5357 -0.0331 0.036 1 3.87
  O2
O
0.4857 -0.242 -0.0495 1 4.18
  O3
O
0.2554 -0.0979 0.0011 1 3.79
  O4
O
0.0486 -0.9877 0.1146 1 3
  O5
O
0.9925 -0.7587 0.1826 1 4.58
  O6
O
0.7616 -0.9211 0.1459 1 3.95
  O7
O
0.9519 -0.9892 0.2483 1 3.95
  O8
O
0.0662 -0.0051 0.4024 1 3.55
  O9
O
0.7348 -0.087 0.3598 1 2.84
  O10
O
0.5555 -0.9943 0.4614 1 3.87
  O11
O
0.7385 -0.205 0.4888 1 3
  O12
O
0.5018 -0.2332 0.4001 1 4.18
  N1
N
0.506 0.507 0.253 1 16.58
  C1
C
0.531 0.738 0.201 1 10.19
  C2
C
0.635 0.604 0.22 1 6.16
  C3
C
0.64 0.413 0.2783 1 5.84
  C4
C
0.545 0.278 0.302 1 11.84