Database of Zeolite Structures
 
Framework Type GIU
Powder Diffraction Pattern for Giuseppettite
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 1 c   (# 159)   
  Cell parameters: a = 12.856 Å b = 12.856Å c = 42.256 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula |Na42K16Ca6 (SO4)10Cl2 (H2O)5 | [Si48Al48O192]-GIU
  Refinement: X-ray single crystal refinement,(Shelxtl), R1=0.073, wR2 = 0.216
  Reference: Bonaccorsi, E.
Microporous Mesoporous Mat., 73, 129-136 (2004)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.2527 0.001 -0.0229 1 1.26
  Si2
Si
0.4149 0.0846 -0.7732 1 1.18
  Si3
Si
-0.5829 -0.6642 -0.0856 1 1.34
  Si4
Si
-0.5851 -0.6673 0.5398 1 1.34
  Si5
Si
0.4135 0.0856 0.1025 1 1.5
  Si6
Si
0.4145 0.0836 -0.6484 1 1.5
  Si7
Si
-0.5862 -0.6676 -0.2103 1 1.26
  Si8
Si
-0.586 -0.6678 0.6647 1 1.26
  Al1
Al
-0.2528 0.0005 -0.0229 1 1.66
  Al2
Al
-0.4157 -0.0745 0.7268 1 1.66
  Al3
Al
0.5842 0.6656 0.0408 1 1.74
  Al4
Al
0.5876 0.6699 -0.5854 1 1.74
  Al5
Al
-0.4164 -0.0756 -0.1482 1 1.34
  Al6
Al
-0.4176 -0.0751 0.6025 1 1.34
  Al7
Al
0.5849 0.6621 0.1653 1 1.5
  Al8
Al
0.5857 0.6623 -0.7103 1 1.5
  O1
O
0.4058 0.2077 0.2217 1 2.84
  O2
O
0.4342 0.5526 0.1623 1 2.45
  O3
O
-0.4473 -0.5663 -0.2123 1 2.45
  O4
O
0.341 -0.013 0.0756 1 3.32
  O5
O
-0.353 -0.011 -0.1133 1 3.24
  O6
O
-0.344 0.012 0.5711 1 3.24
  O7
O
0.357 0.033 -0.6118 1 3.32
  O8
O
0.453 0.539 0.0323 1 4.26
  O9
O
-0.448 -0.551 -0.0811 1 4.26
  O10
O
0.553 0.1213 0.1025 1 2.45
  O11
O
-0.5711 -0.1257 -0.1499 1 2.45
  O12
O
0.1264 -0.1163 -0.031 1 3.47
  O13
O
-0.115 0.111 -0.0204 1 3.47
  O14
O
0.4012 0.203 0.0985 1 3.47
  O15
O
-0.4089 -0.2039 -0.1506 1 3.47
  O16
O
0.557 0.1241 0.2261 1 2.84
  O17
O
0.303 -0.011 0.0131 1 3.79
  O18
O
-0.322 0.013 -0.0536 1 4.11
  O19
O
-0.314 0.011 0.5113 1 4.11
  O20
O
0.335 -0.021 -0.5472 1 3.79
  O21
O
0.5969 0.7996 0.1629 1 3.79
  O22
O
0.4065 0.2054 0.7874 1 3.79
  O23
O
0.677 0.644 0.1377 1 3.79
  O24
O
-0.652 -0.664 -0.1784 1 3.4
  O25
O
-0.662 -0.651 0.6371 1 3.4
  O26
O
0.653 0.67 -0.6729 1 3.79
  O27
O
0.645 0.663 0.2019 1 2.68
  O28
O
-0.661 -0.658 -0.2387 1 4.34
  O29
O
-0.65 -0.661 0.6964 1 4.34
  O30
O
0.676 0.642 -0.7374 1 2.68
  O31
O
0.562 0.7837 0.042 1 5.05
  O32
O
-0.569 -0.78 -0.0912 1 5.05
  S1
S
0 0 0.0557 1 5.13
  OA1
O
0 0 0.0245 1 7.97
  OB1
O
-0.058 -0.122 0.0669 1 6.55
  S2
S
0 0 0.6684 1 4.5
  OA2
O
0.034 0.084 0.641 0.333 5.53
  OB2
O
-0.117 -0.058 0.678 1 10.03
  S3
S
0 0 -0.7118 1 5.05
  OA3
O
0.955 0.879 -0.6953 0.333 4.42
  OB3
O
0.11 0.048 -0.7361 1 6.47
  S4
S
0 0 -0.1013 1 4.58
  OA4
O
0.079 0.067 -0.071 0.333 11.05
  OB4
O
0.076 0.129 -0.1161 1 13.42
  Cl5
Cl
0.628 0.333 0.0064 1 8.69
  S5
S
0.666667 0.333333 0.024 1 11.05
  OA5
O
0.604 0.278 -0.009 0.333 0.79
  OB5
O
0.531 0.265 0.0301 1 2.13
  Cl6
Cl
0.333333 0.666667 -0.076 1 14.21
  S6
S
0.333333 0.666667 -0.057 1 7.18
  OA6
O
0.398 0.786 -0.0341 0.333 5.53
  OB6
O
0.271 0.541 -0.072 1 8.69
  Ca11
Ca
0 0 -0.0187 0.325 1.89
  Na11
Na
0.333333 0.666667 0.1487 0.6 3.32
  Ca12
Ca
0 0 -0.034 0.325 1.89
  Na12
Na
0.333333 0.666667 0.1575 0.4 3.32
  K1
K
0.115 -0.1158 0.1072 0.74 3.55
  Na1
Na
-0.3104 -0.1545 0.5433 1 2.92
  K2
K
0.7709 0.8844 0.2287 1 3.71
  K3
K
-0.7695 -0.8851 -0.1503 0.95 5.21
  Na3
Na
0.849 0.6906 -0.7082 1 2.68
  Na1
Na
-0.3104 -0.1545 0.5433 1 2.92
  Na2
Na
0.8475 0.6912 0.1679 1 2.92
  Na3
Na
0.849 0.6906 -0.7082 1 2.68
  Na41
Na
0.316 0.159 -0.5865 0.167 3.47
  Ca41
Ca
0.316 0.159 -0.5865 0.333 3.47
  Na42
Na
0.397 0.203 -0.5778 0.167 3.47
  Ca42
Ca
0.397 0.203 -0.5778 0.333 3.47
  Na51
Na
0.666667 0.333333 0.2198 0.5 2.92
  Na52
Na
0.666667 0.333333 0.2095 0.5 2.92
  Na6
Na
0.666667 0.333333 0.0852 1 5.68
  Na71
Na
0.333333 0.666667 -0.1318 0.5 2.21
  Na72
Na
0.333333 0.666667 -0.1527 0.5 2.21
  Na8
Na
0.666667 0.333333 -0.2234 1 3.95
  Na91
Na
0.666667 0.333333 -0.0616 0.6 2.84
  Na92
Na
0.666667 0.333333 -0.092 0.4 2.84
  Na11
Na
0.333333 0.666667 0.1487 0.6 3.32
  Na12
Na
0.333333 0.666667 0.1575 0.4 3.32
  Na21
Na
0.498 0.506 0.9762 0.5 1.89
  Na22
Na
0.536 0.464 0.9841 0.5 1.89
  Na31
Na
0.333333 0.666667 0.0234 0.6 3
  Na32
Na
0.333333 0.666667 0.0066 0.4 3
  W1
O
0.666667 0.333333 -0.147 1 7.9
  W2
O
0.333333 0.666667 0.103 1 7.9
  W3
O
0.666667 0.333333 -0.278 1 7.9
  W4
O
0.666667 0.333333 0.293 1 7.9
  W5
O
0.333333 0.666667 -0.339 1 7.9


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