Database of Zeolite Structures
 
Framework Type FRA
Powder Diffraction Pattern for Franzinite
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 3 2 1   (# 150)   
  Cell parameters: a = 12.916 Å b = 12.916Å c = 26.543 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula |(Na,K)30 Ca10 (SO4)10 (H2O)2 | [Al30Si30O120]-FRA
  Refinement: X-ray single crystal refinement, R = 0.0596
  Reference: Ballirano, P., Bonaccorsi, E., Maras, A. and Merlino, S.
Can. Mineral., 38, 657-668 (2000)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.5834 0.6684 0.9018 1 1.25
  Al1
Al
0.419 0.3332 0.0978 1 1.07
  Al2
Al
0.5866 0.6658 0.1963 1 1.5
  Si2
Si
0.4158 0.3323 0.8038 1 0.96
  Al3
Al
0.5927 0.677 0.6028 1 0.95
  Si3
Si
0.4162 0.3365 0.3964 1 1.1
  Al4
Al
0.7511 0.7511 0 1 1.42
  Si4
Si
0.2472 0.2472 0 1 1.03
  Si5
Si
0.7486 0.7495 0.2976 1 1.03
  Al5
Al
0.254 0.2515 0.7026 1 1.18
  Si6
Si
0.7485 0.7485 0.5 1 1.11
  Al6
Al
0.2544 0.2544 0.5 1 0.95
  O1
O
0.4462 0.218 0.1051 1 5.13
  O2
O
0.875 0.7478 0.2876 1 2.21
  O3
O
0.2425 0.1159 0.5098 1 1.97
  O4
O
0.322 0.0005 0.3468 1 2.21
  O5
O
0.671 0.002 0.6482 1 1.97
  O6
O
0.659 0.676 0.547 1 1.74
  O7
O
0.353 0.3302 0.4504 1 1.74
  O8
O
0.669 0.65 0.1495 1 3.87
  O9
O
0.348 0.351 0.8495 1 4.74
  O10
O
0.4501 0.234 0.3901 1 1.74
  O11
O
0.666 0.686 0.9481 1 5.68
  O12
O
0.327 0.307 0.0468 1 6.63
  O13
O
0.442 0.549 0.1995 1 2.76
  O14
O
0.541 0.0786 0.394 1 2.05
  O15
O
0.656 0.673 0.2534 1 2.13
  O16
O
0.344 0.32 0.7537 1 4.18
  O17
O
0.888 0.7821 0.6994 1 2.37
  O18
O
0.4275 0.22 0.8161 1 2.92
  O19
O
0.9157 0.454 0.0863 1 5.13
  O20
O
0.12 0.233 0.0106 1 5.84
  S1
S
0.373 0.676 0.0546 1 5.05
  S2
S
0.343 0.706 0.7415 1 6.16
  S3
S
0.025 0.023 0.1561 1 6.32
  S4
S
0.3333 0.6667 0.3199 1 2.31
  S5
S
0.3333 0.6667 0.4884 1 1.9
  H2O1
O2-(H2O)
0.009 0.039 0.604 1 8.69
  Ca1
Ca
0.503 0.503 0 0.42 3.71
  Ca2
Ca
0.7815 0.5649 0.596 0.91 2.28
  Ca3
Ca
0.4909 0.514 0.3017 0.66 3.13
  Ca31
Ca
0 0 0.7477 0.18 2.68
  Ca32
Ca
0 0 0.7009 0.22 2.68
  Ca4
Ca
0.5015 0.5015 0.5 0.81 2.24
  Ca41
Ca
0 0 0 0.07 4.74
  Ca5
Ca
0.849 0.6967 0.8973 0.29 3.24
  Ca6
Ca
0.834 0.6655 0.2001 0.33 2.68
  Ca61
Ca
0.772 0.556 0.2169 0.15 2.68
  Ca1
Ca
0.503 0.503 0 0.42 3.71
  Ca11
Ca
0.45 0.544 0.015 0.14 3.71
  Ca2
Ca
0.7815 0.5649 0.596 0.91 2.28
  Ca3
Ca
0.4909 0.514 0.3017 0.66 3.13
  Ca4
Ca
0.5015 0.5015 0.5 0.81 2.24
  Ca5
Ca
0.849 0.6967 0.8973 0.29 3.24
  Ca51
Ca
0.806 0.586 0.9164 0.12 3.24
  Ca52
Ca
0.873 0.76 0.887 0.15 3.24
  Ca53
Ca
0.829 0.65 0.903 0.11 3.24
  Ca6
Ca
0.834 0.6655 0.2001 0.33 2.68
  Ca61
Ca
0.772 0.556 0.2169 0.15 2.68
  Ca62
Ca
0.873 0.726 0.1849 0.13 2.68
  Ca63
Ca
0.795 0.605 0.2139 0.12 2.68
  O21
O
0.617 0.32 0.9054 1 9.47
  O22
O
0.375 0.603 0.0207 1 12.63
  O23
O
0.488 0.736 0.076 1 12.63
  O24
O
0.401 0.786 0.7078 1 7.9
  O25
O
0.73 0.47 0.225 1 5.53
  O26
O
0.728 0.399 0.229 1 9.47
  O27
O
0.046 0.126 0.131 1 6.32
  O28
O
0.113 0.078 0.184 1 14.21
  O29
O
0.045 0.042 0.113 1 10.26
  O30
O
0.3333 0.6667 0.265 1 7.34
  O31
O
0.396 0.789 0.339 1 4.18
  O32
O
0.3333 0.6667 0.5433 1 4.58
  O33
O
0.397 0.791 0.4698 1 3.32


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