Database of Zeolite Structures
 
Framework Type ERI
Powder Diffraction Pattern for Piperidine AlPO-17
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 63/m   (# 176)   
  Cell parameters: a = 13.2371 Å b = 13.2371Å c = 14.7708 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula [Al18P18O72]-ERI
  Refinement: X-ray single crystal refinement, Rw=0.081
  Reference: Pluth, J.J., Smith, J.V. and Bennett, J.M.
Acta Crystallogr., C42, 283-286 (1986)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  AL1
Al
0.7708 0.9983 0.118 1 2.76
  AL2
Al
0.0999 0.4214 0.25 1 1.9
  P1
P
0.9989 0.2369 0.0938 1 1.97
  P2
P
0.5675 0.9079 0.25 1 1.42
  O1
O
0.0365 0.3435 0.1529 1 3
  O11
O
0.6373 0.9669 0.1649 1 2.13
  O2
O
0.0826 0.191 0.1053 1 3.16
  O3
O
0.1432 0.264 0.6244 1 3.16
  O4
O
0.2773 0.003 0.997 1 3.32
  O5
O
0.2468 0.4693 0.25 1 2.6
  O6
O
0.4584 0.9171 0.25 1 2.05
  O7
O
0.1721 0.1876 0.25 0.69 3.47
  C1
C
0.377 0.793 0.9599 1 33.1
  C2
C
0.459 0.749 0.992 1 33.1