Database of Zeolite Structures
 
Framework Type GOO
Powder Diffraction Pattern for Goosecreekite
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: P 1 21 1   (# 4)   
  Cell parameters: a = 7.401 Å b = 17.439Å c = 7.293 Å
    α = 90° β = 105.44° γ = 90 °
  Chemical Formula |Ca4 (H2O)20|1/2 [Al8Si24O64]1/2-GOO
  Refinement: X-ray single crystal refinement, Rw=0.049
  Comment: unique axis b
  Reference: Rouse, R.C. and Peacor, D.R.
Am. Mineral., 71, 1494-1501 (1986)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  CA
Ca
0.6557 0.2721 0.1969 1 1.78
  SI1
Si
0.3374 0.4732 0.6282 1 1.18
  SI2
Si
0.3168 0.1294 0.5997 1 1.12
  SI3
Si
0.0219 0.2599 0.5249 1 1.03
  SI4
Si
0.1044 0.0578 0.8612 1 1.08
  SI5
Si
0.0892 0.3877 0.8325 1 1.07
  SI6
Si
0.2394 0.0045 0.2768 1 1.06
  AL1
Al
0.7482 0.1285 0.5887 1 1
  AL2
Al
0.0682 0.3982 0.2632 1 1.02
  O1
O
0.7228 0.0612 0.4105 1 2
  O2
O
0.5336 0.1478 0.6346 1 1.87
  O3
O
0.8372 0.2097 0.5064 1 1.33
  O4
O
0.9065 0.1001 0.7936 1 1.78
  O5
O
0.2607 0.4392 0.8023 1 1.77
  O6
O
0.2666 0.4226 0.4408 1 1.51
  O7
O
0.5594 0.4662 0.7062 1 2.12
  O8
O
0.2017 0.2065 0.5155 1 1.6
  O9
O
0.2657 0.1069 0.7949 1 1.65
  O10
O
0.2515 0.0596 0.4581 1 1.86
  O11
O
0.0811 0.3051 0.7261 1 1.68
  O12
O
0.9698 0.3179 0.3431 1 1.58
  O13
O
0.9052 0.4718 0.2174 1 2.09
  O14
O
0.1728 0.0585 0.0904 1 1.98
  O15
O
0.1202 0.3741 0.0505 1 1.91
  O16
O
0.9022 0.4346 0.7315 1 2.06
  H2O1
O2-(H2O)
0.3512 0.2234 0.0964 1 4.83
  H2O2
O2-(H2O)
0.6565 0.2989 0.8717 1 4.81
  H2O3
O2-(H2O)
0.5102 0.3063 0.4504 1 3.5
  H2O4
O2-(H2O)
0.7574 0.153 0.1048 1 3.92
  H2O5
O2-(H2O)
0.565 0.4074 0.1595 1 3.73