Database of Zeolite Structures
 
Framework Type GIS
Powder Diffraction Pattern for Amicite
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: I 1 2 1   (# 141)   
  Cell parameters: a = 10.226 Å b = 10.422Å c = 9.884 Å
    α = 90° β = 88.315° γ = 90 °
  Refinement: X-ray single crystal refinement, Rw=0.033
  Comment: unique axis b, cell choice 3
  Reference: Alberti, A. and Vezzalini, G.
Acta Crystallogr., B35, 2866-2869 (1979)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA
Na
0.4312 0.2559 0.6716 0.9 2.53
  K1
K
0.3071 -0.004 0.9692 0.94 2.09
  SI1
Si
0.1523 -0.0133 0.3261 1 0.46
  SI2
Si
0.1534 0.2615 0.8263 1 0.4
  AL1
Al
0.1546 0.2491 0.1546 1 0.43
  AL2
Al
0.1582 0.0027 0.6512 1 0.44
  O1
O
0.001 -0.0471 0.3037 1 1.21
  O2
O
-0.003 0.2956 0.2047 1 1.14
  O3
O
0.2031 0.1401 0.7354 1 0.96
  O4
O
0.181 0.0304 0.4785 1 1.18
  O5
O
0.1712 0.2264 0.9833 1 1.13
  O6
O
0.1989 0.1018 0.2263 1 1
  O7
O
0.262 0.361 0.2184 1 1.09
  O8
O
0.7558 0.3812 0.2177 1 0.73
  H2O1
O2-(H2O)
0.3435 0.2507 0.4539 0.85 2.65
  H2O2
O2-(H2O)
0.4779 0.0682 0.2179 0.85 2.76
  H2O3
O2-(H2O)
0 0.3191 0.5 1 2.7
  H2O4
O2-(H2O)
0.5 0.4729 0.5 0.53 2.35