Database of Zeolite Structures
 
Framework Type ESV
Powder Diffraction Pattern for ERS-7 Framework
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 n m a   (# 62)   
  Cell parameters: a = 9.7998 Å b = 12.4116Å c = 22.8606 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |H5.06Na0.07 | [Al5.13Si42.87O96]-ESV
  Refinement: X-ray Rietveld refinement, Rp = 0.056, Rwp = 0.0611
  Reference: Millini, R., Perego, G., Carluccio, L., Bellussi, G., Cox, D.E., Campbell, B.J. and Cheetham, A.K.
Proc. 12th Int. Zeolite Conf., I, pp. 541-548 (1999)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.3402 0.8726 0.8634 1 1.97
  Si2
Si
0.6431 0.8742 0.5312 1 1.97
  Si3
Si
0.885 0.5148 0.9184 1 1.82
  Si4
Si
0.1522 0.8753 0.6532 1 2.13
  Si5
Si
0.9631 0.1242 0.809 1 1.34
  Si6
Si
0.2262 0.4812 0.7616 1 1.5
  O1
O
0.3061 0.75 0.8436 1 2.92
  O2
O
0.2695 0.8974 0.9252 1 3.16
  O3
O
0.4999 0.8899 0.8714 1 3.32
  O4
O
0.2792 0.953 0.8154 1 6.08
  O5
O
0.639 0.75 0.5129 1 2.84
  O6
O
0.6641 0.9451 0.473 1 2.84
  O7
O
0.5035 0.902 0.5622 1 3.4
  O8
O
0.9441 0.4377 0.8693 1 4.26
  O9
O
0.7618 0.5839 0.8935 1 3.47
  O10
O
0.1818 0.75 0.669 1 4.97
  O11
O
0.1698 0.5614 0.7136 1 6.63
  O12
O
0.9527 0.25 0.8208 1 3.16
  O13
O
0.3481 0.4091 0.7358 1 3.87
  O14
O
0.1074 0.4034 0.7828 1 4.82


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