Database of Zeolite Structures
 
Framework Type ETV
Powder Diffraction Pattern for EMM-37, as made
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 -1   (# 2)   
  Cell parameters: a = 8.8317 Å b = 9.6344Å c = 10.6525 Å
    α = 104.41° β = 99.8° γ = 99.5 °
  Chemical Formula |BDMP+2| [Si12Al2O28]-ETV
BDMP+2 = C12H26N2+2 = 3,3'-Bi[1,1-dimethylpyrrodidinium]
= 3-(1,1-dimethylpyrrolidin-1-ium-3-yl)-1,1-dimethylpyrrolidin-1-ium
SMILES: C1C(C[N+](C1)(C)C)C2C[N+](CC2)(C)C   Images:  stick or 3D
  Refinement: X-ray Rietveld refinement, RP = 0.052, RwP = 0.063, GOF = 1.03
  Reference: Kapaca, E., Burton, A., Terefenko, E., Vroman, H., Weston, S. C., Kochersperger, M., Afeworki, M., Paur, C., Koziol, L., Ravikovitch, P., Xu, H., Zou, X., Willhammar, T.
Inorg. Chem., 58, 12854-12858 (2019)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.5228 0.2686 0.1408 1 0.93
  Si2
Si
0.5564 0.4216 -0.1934 1 0.93
  Si3
Si
0.5707 0.0531 0.3217 1 0.93
  Si4
Si
0.3154 -0.1888 0.3683 1 0.93
  Si5
Si
0.3084 0.1845 -0.1433 1 0.93
  Si6
Si
0.0019 -0.2948 0.1565 1 0.93
  Si7
Si
0.8037 0.3985 0.0399 1 0.93
  O1
O
0.5129 0.1663 0.2347 1 1.15
  O2
O
0.6911 0.4507 -0.0655 1 1.15
  O3
O
0.4067 -0.0566 0.3261 1 1.15
  O4
O
0.3947 0.3211 -0.1864 1 1.15
  O5
O
0.3947 0.1858 0.0033 1 1.15
  O6
O
0.1331 -0.2241 0.2964 1 1.15
  O7
O
0.4703 0.4182 0.2112 1 1.15
  O8
O
0.6947 0.3015 0.1158 1 1.15
  O9
O
0.1221 0.195 -0.1541 1 1.15
  O10
O
0.6651 0.1379 0.4729 1 1.15
  O11
O
0.6885 -0.0339 0.245 1 1.15
  O12
O
0.3936 -0.3344 0.3266 1 1.15
  O13
O
0.9208 0.5417 0.1545 1 1.15
  O14
O
0.9088 0.2961 -0.0335 1 1.15
  C1
C
0.0331 0.4343 0.4812 1 11.6
  C2
C
0.228 0.4695 0.5444 1 11.6
  C3
C
0.2804 0.3482 0.4352 1 11.6
  C4
C
0.1201 0.2234 0.3577 1 11.6
  C5
C
-0.0254 0.3125 0.3426 1 11.6
  C6
C
0.0804 0.1127 0.4375 1 11.6
  C7
C
0.1262 0.1533 0.2078 1 11.6


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