Database of Zeolite Structures
 
Framework Type EWS
Powder Diffraction Pattern for EMM-26, 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: C m c a   (# 64)   
  Cell parameters: a = 19.3918 Å b = 15.7008Å c = 17.7673 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(MPH+2)4 H2O | [Si88B8O192]-EWS
MPH+2 = C16H34N2+2
= 1-methyl-1-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
SMILES: C[N+]1(CCCC1)CCCCCC[N+]2(CCCC2)C   Images:  stick or 3D
  Refinement: X-ray synchrotron Rietveld refinement, Rwp=0.066,Rp=0.051
  Reference: Guo, P., Strohmaier, K., Vroman, H., Afeworki, M., Ravikovitch, P.I., Paur, C.S., Sun, J., Burton, A. and Zou, X.
Inorg. Chem. Front., 3, 1444-1448 (2016)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.4179 0.1573 0.42904 1 0.9
  Si2
Si
0.3485 0 0.5 1 0.9
  Si3
Si
0.23391 0.0729 0.60449 1 0.9
  B4
B
0.25 0.3256 0.25 0.1452 0.9
  Si5
Si
0.17691 0.20447 0.49942 1 0.9
  Si6
Si
0.1969 0.1116 0.35293 0.9232 0.9
  B6
B
0.1969 0.1116 0.35293 0.0768 0.9
  Si7
Si
0.3347 0.1763 0.2923 0.6492 0.9
  B7
B
0.3347 0.1763 0.2923 0.3508 0.9
  O1
O
0.3997 0.1724 0.3416 1 1.35
  O2
O
0.3013 0.0592 0.5532 1 1.35
  O3
O
0.3965 0.0635 0.4521 1 1.35
  O4
O
0.382 0.2277 0.4816 1 1.35
  O5
O
0.1619 0.165 0.4177 1 1.35
  O6
O
0.3172 0.2681 0.2652 1 1.35
  O7
O
0.1537 0.1196 0.2771 1 1.35
  O8
O
0.2638 0.1149 0.6797 1 1.35
  O9
O
0.1974 -0.0134 0.6234 1 1.35
  O10
O
0.27428 0.1432 0.3449 1 1.35
  O11
O
0.5 0.1646 0.4399 1 1.35
  O12
O
0.25 0.25 0.5 1 1.35
  O13
O
0.1789 0.1328 0.5631 1 1.35
  N1
N
0.4915 0.9072 1.2408 0.2687 8
  N2
N
0.4936 1.0561 0.7549 0.2687 8
  H1
H
0.5959 0.8879 1.278 0.2687 12
  H2
H
0.5472 0.9585 1.336 0.2687 12
  H3
H
0.5704 0.7846 1.3636 0.2687 12
  H4
H
0.5 0.8451 1.4032 0.2687 12
  H5
H
0.4906 0.7056 1.2956 0.2687 12
  H6
H
0.422 0.7717 1.3318 0.2687 12
  H7
H
0.5019 0.786 1.1874 0.2687 12
  H8
H
0.4148 0.8164 1.2061 0.2687 12
  H9
H
0.413 0.9367 1.3224 0.2687 12
  H10
H
0.3904 0.9612 1.2275 0.2687 12
  H11
H
0.4516 1.027 1.2775 0.2687 12
  H12
H
0.5691 0.9055 1.1556 0.2687 12
  H13
H
0.5428 1.0097 1.1846 0.2687 12
  H14
H
0.4346 0.9964 1.1133 0.2687 12
  H15
H
0.4526 0.8866 1.0907 0.2687 12
  H16
H
0.5584 0.933 1.0208 0.2687 12
  H17
H
0.5397 1.0424 1.0438 0.2687 12
  H18
H
0.4275 1.0312 0.9752 0.2687 12
  H19
H
0.4459 0.9217 0.9524 0.2687 12
  H20
H
0.5338 1.0766 0.905 0.2687 12
  H21
H
0.5506 0.9665 0.8821 0.2687 12
  H22
H
0.4412 0.9552 0.8122 0.2687 12
  H23
H
0.417 1.0602 0.841 0.2687 12
  H24
H
0.3894 1.0787 0.719 0.2687 12
  H25
H
0.4356 1.006 0.6608 0.2687 12
  H26
H
0.4161 1.1802 0.6321 0.2687 12
  H27
H
0.4853 1.1174 0.5925 0.2687 12
  H28
H
0.5648 1.1897 0.6628 0.2687 12
  H29
H
0.4974 1.2574 0.6996 0.2687 12
  H30
H
0.4863 1.1777 0.8081 0.2687 12
  H31
H
0.5725 1.1447 0.7883 0.2687 12
  H32
H
0.5705 1.0237 0.6723 0.2687 12
  H33
H
0.5309 0.9348 0.7184 0.2687 12
  H34
H
0.5939 0.9995 0.7669 0.2687 12
  C1
C
0.468 0.8189 1.2286 0.2687 8
  C2
C
0.4731 0.7723 1.3035 0.2687 8
  C3
C
0.5242 0.8233 1.35 0.2687 8
  C4
C
0.5436 0.8996 1.3014 0.2687 8
  C5
C
0.4338 0.9607 1.268 0.2687 8
  C6
C
0.5238 0.9444 1.1719 0.2687 8
  C8
C
0.5163 0.9789 1.0326 0.2687 8
  C9
C
0.4695 0.985 0.9634 0.2687 8
  C10
C
0.5097 1.0139 0.8933 0.2687 8
  C11
C
0.4615 1.02 0.8243 0.2687 8
  C12
C
0.4411 1.065 0.695 0.2687 8
  C13
C
0.4616 1.1404 0.6457 0.2687 8
  C14
C
0.514 1.1903 0.6915 0.2687 8
  C15
C
0.519 1.1437 0.7666 0.2687 8
  C16
C
0.55 1.0007 0.7271 0.2687 8
  C7
C
0.4761 0.9497 1.1025 0.2687 8
  Ow1
O
0.51 0.187 0.042 0.066 10


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