Database of Zeolite Structures
 
Framework Type LOV
Powder Diffraction Pattern for Lovdarite
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 m a 2   (# 28)   
  Cell parameters: a = 39.576 Å b = 6.9308Å c = 7.1526 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |K2Na6 (H2O)9|2 [Be4Si14O36]2-LOV
  Refinement: X-ray single crystal refinement, Rw=0.09
  Reference: Merlino, S.
Eur. J. Mineral., 2, 809-817 (1990)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  NA1
Na
0.25 0.6098 0.2437 1 1.95
  NA2
Na
0.25 0.6217 0.7683 1 1.97
  NA3
Na
0.1283 0.8542 0.699 1 2.18
  NA4
Na
0.0069 0.284 0.8652 1 6.1
  K
K
0.386 0.0417 0.1828 1 1.98
  SI1
Si
0.2113 0.0504 0.277 1 0.73
  SI2
Si
0.2113 0.0497 0.7179 1 0.84
  SI3
Si
0.1952 0.3671 -0.0008 1 0.77
  SI4
Si
0.1248 0.5026 -0.0269 1 0.89
  SI5
Si
0.0582 0.5267 0.1399 1 0.92
  SI6
Si
0.0333 0.2593 0.4469 1 0.79
  SI7
Si
0.0458 0.8202 0.4588 1 0.87
  BE1
Be
0.1805 0.782 0.005 1 0.47
  BE2
Be
0.067 0.5415 0.7334 1 1
  O1
O
0.25 -0.0319 0.2723 1 0.61
  O2
O
0.2103 0.2603 0.1857 1 1.35
  O3
O
0.1858 -0.096 0.1901 1 1.12
  O4
O
0.2023 0.0905 0.5007 1 1.33
  O5
O
0.25 -0.0324 0.7287 1 1.2
  O6
O
0.2106 0.2624 0.8147 1 1.14
  O7
O
0.1858 -0.1014 0.803 1 1.15
  O8
O
0.2065 0.587 0.0011 1 0.77
  O9
O
0.154 0.3356 0.0027 1 1.33
  O10
O
0.1409 0.7122 -0.0041 1 1.25
  O11
O
0.0979 0.4563 0.1463 1 1
  O12
O
0.1057 0.4735 0.7794 1 1.34
  O13
O
0.0355 0.3608 0.2493 1 1.22
  O14
O
0.0563 0.7205 0.2606 1 1.89
  O15
O
0.0448 0.5539 -0.0671 1 1.4
  O16
O
0.0514 0.0501 0.4226 1 1.13
  O17
O
0.0493 0.3782 0.6145 1 1.51
  O18
O
-0.006 0.2198 0.5039 1 1.43
  O19
O
0.0678 -0.2501 0.6341 1 0.88
  H2O1
O2-(H2O)
0.2115 0.5643 0.5123 1 2.17
  H2O2
O2-(H2O)
0.1438 0.6958 0.4247 1 2.38
  H2O3
O2-(H2O)
0.129 0.182 0.5459 1 2.7
  H2O4
O2-(H2O)
0.0744 0.0616 0.879 1 3.91
  H2O5
O2-(H2O)
0 0 0.0134 1 8.03


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