Database of Zeolite Structures
 
Framework Type UEI
Powder Diffraction Pattern for Mu-18
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: A b a 2   (# 41)   
  Cell parameters: a = 18.035 Å b = 10.513Å c = 14.293 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(MPIP)4 (H2O)4| [Ga24P24O96(OH)8]-UEI
MPIP = C5H12N2 = N-methylpiperazine
= 1-methylpiperazine
SMILES: CN1CCNCC1
;Images:  stick or 
  Refinement: X-ray single crystal refinement, wR2 = 0.1045
  Reference: Josien, L., Simon, A., Gramlich, V. and Patarin, J.
Chem. Mater., 13, 1305-1311 (2001)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Ga1
Ga
0.70282 0.80786 0.64851 1 0.92
  Ga2
Ga
0.68499 0.62454 0.37474 1 1.18
  Ga3
Ga
0.60925 0.85355 0.05748 1 0.93
  P1
P
0.5751 0.6424 0.5444 1 1.22
  P2
P
0.7042 0.8395 0.8747 1 1.14
  P3
P
0.6693 0.6134 0.1598 1 1.04
  O1
O
0.7496 0.6424 0.136 1 1.02
  O2
O
0.6525 0.6621 0.2579 1 1.57
  O3
O
0.7915 0.8881 0.6106 1 1.26
  H33A
H
0.7861 0.9782 0.6189 1 6.31
  O4
O
0.6328 0.8392 0.93 1 1.57
  O5
O
0.6026 0.6193 0.4447 1 1.81
  O6
O
0.6183 0.7513 0.5884 1 1.5
  O7
O
0.6156 0.6854 0.0947 1 1.18
  O8
O
0.7614 0.7562 0.9239 1 1.81
  O9
O
0.6884 0.7862 0.7782 1 1.81
  O10
O
0.7361 0.9743 0.8716 1 1.42
  O12
O
0.5057 0.8187 0.0379 1 1.42
  O13
O
0.6556 0.9719 0.6511 1 1.42
  O11
O
0.5859 1.0186 0.0991 1 1.18
  O1W
O2-(H2O)
0.4974 0.2787 0.774 0.5 4.5
  C
C
0.5184 0.7308 0.7812 0.5 13.6
  H0A
H
0.4715 0.7724 0.7733 0.5 20.5
  H0B
H
0.554 0.7905 0.805 0.5 20.5
  H0C
H
0.5351 0.6986 0.722 0.5 20.5
  N1
N
0.5081 0.6298 0.8495 0.5 13.6
  H1A
H
0.5072 0.6765 0.9023 0.5 20.5
  C1
C
0.4378 0.5807 0.8604 1 13.6
  H1B
H
0.4088 0.6037 0.8067 1 20.5
  H1C
H
0.4145 0.6197 0.9136 1 20.5
  C2
C
0.4287 0.4429 0.8831 1 13.6
  H2C
H
0.4244 0.4027 0.823 1 20.5
  H2D
H
0.3848 0.4242 0.9184 1 20.5
  N2
N
0.4939 0.3856 0.9167 0.5 13.6
  H2A
H
0.4898 0.3012 0.9255 0.5 20.5
  H2B
H
0.4984 0.4233 0.973 0.5 20.5


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