Database of Zeolite Structures
 
Framework Type JNT
Powder Diffraction Pattern for JU92-300
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 21/c 1   (# 14)   
  Cell parameters: a = 8.4084 Å b = 14.4558Å c = 16.3592 Å
    α = 90° β = 120.037° γ = 90 °
  Chemical Formula |(MPIP)2| [Mg4Al12P16O64]-JNT
MPIP = C5H12N2 = N-methylpiperazine
= 1-methylpiperazine
SMILES: CN1CCNCC1   Images:  stick or 3D
  Refinement: X-ray single crystal refinement, R(F) = 0.0578, R(wF2) = 0.1166 (for all data)
  Reference: Wang, Y., Li, Y., Yan, Y., Xu, J., Guan, B., Wang, Q., Li, J. and Yu, J.
Chem. Commun., 49, 9006-9008 (2013)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  P1
P
0.8531 0.66451 0.24313 1 1.19
  P2
P
1.21497 0.71085 0.60391 1 1.12
  P3
P
0.70107 0.94568 0.2947 1 1.32
  P4
P
0.59773 0.64195 0.43013 1 1.26
  Al1
Al
0.86474 0.77199 0.41543 1 1.14
  Al2
Al
0.59388 0.82161 0.11784 1 1.25
  Al3
Al
1.22885 0.64492 0.24416 1 1.08
  Mg1
Mg
0.7283 0.49272 0.32343 1 1.42
  O1
O
1.1483 0.62153 0.6217 1 2.28
  O2
O
1.3627 0.69446 0.5771 1 2.17
  O3
O
1.0599 0.76657 0.52366 1 2.11
  O4
O
0.39 0.64354 0.36261 1 2.08
  O5
O
1.2977 0.77336 0.69143 1 1.87
  O6
O
0.6938 0.71327 0.15887 1 2.11
  O7
O
0.8024 0.56502 0.24614 1 2.28
  O8
O
0.8264 0.88856 0.38356 1 1.75
  O9
O
0.6892 0.56402 0.4099 1 2.36
  O10
O
0.6287 0.63689 0.52985 1 2.16
  O11
O
0.6734 0.73527 0.4195 1 2.38
  O12
O
0.696 0.89933 0.21001 1 2.34
  O13
O
1.0167 0.672 0.2287 1 2.51
  O14
O
0.798 1.03875 0.31025 1 2.49
  O15
O
0.5132 0.9562 0.2816 1 2.56
  O16
O
0.8995 0.7137 0.33416 1 2.68
  N1
N
0.4114 0.9871 0.4416 0.5 4.1
  N2
N
0.235 0.9438 0.4055 0.5 5.97
  C1
C
0.4303 1.0688 0.5166 1 3.87
  C2
C
0.2548 1.0137 0.4775 0.5 4.18
  C3
C
0.385 0.8845 0.4409 0.5 5.52
  C4
C
0.235 0.9438 0.4055 0.5 5.97


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