Database of Zeolite Structures
 
Framework Type LTN
Powder Diffraction Pattern for NaZ-21
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 =
       Calculate UVW such that FWHM =
    FWHM =
       FWHM =
   
Select Output
 
List hkl and intensity
List powder pattern
plot powder pattern
Crystal Data
  Space group: F d -3   (# 227)   Setting 2
  Cell parameters: a = 36.95 Å b = 36.95Å c = 36.95 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray single crystal refinement, R=0.051
  Comment: second origin choice in IT
  Reference: Shepelev, Yu.F., Smolin, Yu.I., Butikova, I.K. and Tarasov, V.I.
Dokl. Akad. Nauk SSSR, 272, 1133-1137 (1983)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA1
Na
0.042 0.042 0.042 1 3
  NA2
Na
0.2312 0.2132 0.2132 0.56 0.8
  NA3
Na
0.2337 0.2337 0.2337 0.26 3
  NA4
Na
0.6964 0.6964 0.6964 0.77 2.4
  NA5
Na
0.4184 0.4184 0.4184 0.53 3
  NA6
Na
0.4322 0.4322 0.4322 0.21 3.5
  NA7
Na
0.4564 0.4564 0.4564 0.09 3.3
  NA8
Na
0.177 0.0742 0.8278 0.46 2.1
  NA9
Na
0.1895 0.0621 0.8156 0.24 2.4
  NA10
Na
0.2006 0.0501 0.7983 0.23 2.6
  NA11
Na
0.1805 0.0705 0.4323 1 2.7
  NA12
Na
0.2723 0.1111 0.3621 0.6 2.8
  NA13
Na
0.2541 0.111 0.3615 0.25 0.9
  NA14
Na
0.2311 0.1084 0.364 0.15 3
  SI1
Si
0.2481 0.0633 0.6252 1 0.4
  SI2
Si
0.3103 0.1213 0.7456 1 0.5
  SI3
Si
0.1717 0.0154 0.954 1 0.4
  SI4
Si
0.223 0.0852 0.2858 1 0.7
  AL1
Al
0.3141 -0.0016 0.8749 1 0.5
  AL2
Al
0.2484 0.1221 0.8066 1 0.5
  AL3
Al
0.2965 0.0164 0.0794 1 0.4
  AL4
Al
0.285 0.0853 0.2273 1 0.7
  O1
O
0.2151 0.0365 0.6145 1 1.6
  O2
O
0.1613 0.0917 0.7357 1 1
  O3
O
0.3857 0.0308 0.036 1 1.7
  O4
O
0.258 0.0866 0.5894 1 1.3
  O5
O
0.1135 0.0417 0.4616 1 1.4
  O6
O
0.1982 0.0495 0.9583 1 1.6
  O7
O
0.3626 0.0346 0.7917 1 1.4
  O8
O
0.3261 0.0877 0.506 1 1.8
  O9
O
0.2529 0.0944 0.8444 1 1.4
  O10
O
0.3209 0.0698 0.2537 1 1.9
  O11
O
0.216 0.1228 0.9583 1 1.7
  O12
O
0.2652 0.0686 0.9861 1 1.8
  O13
O
0.2454 0.1656 0.8233 1 1.9
  O14
O
0.1723 0.0018 0.2433 1 2
  O15
O
0.2803 0.0436 0.3807 1 1.7
  O16
O
0.2839 0.0653 0.1852 1 1.8
  H2O1
O2-(H2O)
0.2685 0.2685 0.2685 0.89 7.3
  H2O2
O2-(H2O)
0.3699 0.0673 0.1659 0.17 2.6
  H2O3
O2-(H2O)
0.3693 0.0758 0.1748 0.63 3.8
  H2O4
O2-(H2O)
0.3679 0.0911 0.1828 0.2 2.3
  H2O5
O2-(H2O)
0.0754 0.0754 0.0754 0.4 6.3
  H2O6
O2-(H2O)
0.3268 0.125 0.625 0.86 5.5
  H2O7
O2-(H2O)
0.1558 0.0849 0.888 0.6 5.4
  H2O8
O2-(H2O)
0.1471 0.1066 0.8896 0.36 4.6
  H2O9
O2-(H2O)
0.3553 0.0276 0.3912 0.38 6.3
  H2O10
O2-(H2O)
0.3496 0.0471 0.3987 0.61 3.4
  H2O11
O2-(H2O)
0.2063 0.0449 0.1043 0.29 3.8