Database of Zeolite Structures
 
Framework Type FER
Powder Diffraction Pattern for Ferrierite
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: I m m m   (# 71)   
  Cell parameters: a = 19.156 Å b = 14.127Å c = 7.489 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |Mg2Na2 (H2O)18 | [Al6Si30O72]-FER
  Refinement: X-ray single crystal refinement, R=0.11
  Reference: Vaughan, P.A.
Acta Crystallogr., 21, 983-990 (1966)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA
Na
0.4285 0 0 0.24 3
  MG
Mg
0 0 0.5 1 3.29
  SI1
Si
0.1548 0 0 0.84 1.74
  SI2
Si
0.0841 0.2024 0 0.84 1.55
  SI3
Si
0.2727 0 0.2905 0.84 2
  SI4
Si
0.3232 0.2019 0.2067 0.84 2.08
  AL1
Al
0.1548 0 0 0.16 1.74
  AL2
Al
0.0841 0.2024 0 0.16 1.55
  AL3
Al
0.2727 0 0.2905 0.16 2
  AL4
Al
0.3232 0.2019 0.2067 0.16 2.08
  O1
O
0 0.2131 0 1 3.84
  O2
O
0.2528 0 0.5 1 3.76
  O3
O
0.1025 0.0882 0 1 5.63
  O4
O
0.2039 0 0.1776 1 5.21
  O5
O
0.25 0.25 0.25 1 4.5
  O6
O
0.161 0.2833 0.5 1 3.82
  O7
O
0.1155 0.2497 0.1796 1 4.42
  O8
O
0.3202 0.0907 0.2459 1 3.79
  H2O1
O2-(H2O)
0 0 0.2389 1 3.66
  H2O2
O2-(H2O)
0.0912 0.0691 0.5 0.5 7.53
  H2O3
O2-(H2O)
0.0347 0.1403 0.5 0.5 9.21