Database of Zeolite Structures
 
Framework Type HZF
Powder Diffraction Pattern for ZEO-5, calcined
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 1 2/c 1   (# 15)   
  Cell parameters: a = 25.278 Å b = 24.665Å c = 14.4173 Å
    α = 90° β = 105.24° γ = 90 °
  Chemical Formula [Si96O192]-HZF
  Refinement: Combined Synchrotron, 3d-electron and neutron diffraction data. R-values for synchrotron data: Rp = 0.039, Rwp = 0.062 , Gof = 1.71
  Reference: Gao, Z.R., Yu, H., Chen, F.-J., Mayoral, A., Niu, Z., Niu, Z., Li, X., Deng, H., Márquez-Álvarez, C., He, H., Xu, S., Zhou, Y., Xu, J., Xu, H., Fan, W., Balestra, S.R.G., Ma, C., Hao, J., Li, J., Wu, P., Yu, J. and Camblor, M.A.
Nature, 628, 99-103 (2024)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.558425 0.380349 0.105685 1 0.9117408
  Si2
Si
0.359066 0.470888 0.428269 1 0.7642074
  Si3
Si
0.376593 0.436584 0.800773 1 0.7618656
  Si4
Si
0.5 0.300422 0.75 1 1.159191
  Si5
Si
0.491609 0.391588 0.89455 1 1.1381148
  Si6
Si
0.426598 0.482146 0.638975 1 1.018683
  Si7
Si
0.5 0.573671 0.75 1 1.159191
  Si8
Si
0.110304 0.240159 0.364599 1 1.6767288
  Si9
Si
0.307351 0.352451 0.672773 1 1.565103
  Si10
Si
0.133759 0.205503 0.573004 1 1.67829
  Si11
Si
0.21632 0.113014 0.536076 1 1.7657172
  Si12
Si
0.22361 0.273513 0.626151 1 3.8608476
  Si13
Si
0.200494 0.312178 0.408098 1 3.8858268
  O01
O
0.052128 0.237643 0.287115 1 2.5884696
  O02
O
0.58972 0.32287 0.119909 1 1.810992
  O03
O
0.333522 0.389438 0.764395 1 2.0428302
  O04
O
0.199575 0.056299 0.573673 1 1.8952968
  O05
O
0.491933 0.336348 0.836554 1 2.6048622
  O06
O
0.397771 0.429085 0.393145 1 1.7188812
  O07
O
0.431764 0.413877 0.875053 1 2.5962756
  O08
O
0.532232 0.612188 0.694127 1 1.9991166
  O09
O
0.346196 0.478704 0.855383 1 1.6447242
  O10
O
0.458166 0.536758 0.673687 1 2.603301
  O11
O
0.468632 0.433708 0.635802 1 3.118497
  O12
O
0.390457 0.465386 0.710154 1 2.318382
  O13
O
0.388892 0.491214 0.534036 1 1.8242622
  O14
O
0.512313 0.379902 0.006365 1 1.8242622
  O15
O
0.177062 0.160367 0.556798 1 2.8046958
  O16
O
0.351638 0.308048 0.661562 1 2.3019894
  O17
O
0.220932 0.371957 0.408976 1 2.049075
  O18
O
0.166023 0.252245 0.64098 1 2.049075
  O19
O
0.136306 0.300158 0.359789 1 2.3917584
  O20
O
0.253663 0.324472 0.690297 1 2.7687882
  O21
O
0.292417 0.388908 0.578095 1 2.736003
  O22
O
0.102676 0.22917 0.468772 1 2.587689
  O23
O
0.213698 0.291149 0.516312 1 6.6920838
  O24
O
0.23332 0.276375 0.344311 1 4.226949


Copyright © 2017 Structure Commission of the International Zeolite Association (IZA-SC)