Database of Zeolite Structures
 
Framework Type MOR
Powder Diffraction Pattern for Maricopaite
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

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Crystal Data
  Space Group: C m 2 m   (# 38)   
  Cell parameters: a = 19.432 Å b = 19.702Å c = 7.538 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al12Si36O92(OH)8]-MOR
  Refinement: X-ray single crystal refinement, Rw=0.051
  Comment: Non-standard bca setting
  Reference: Rouse, R.C. and Peacor, D.R.
Am. Mineral., 79, 175-184 (1994)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Pb1
Pb
0.0975 0.1044 0.5 0.83 2.25
  Pb2
Pb
0.0977 0.8988 0 0.245 1.83
  Pb3
Pb
0 0.9662 0.2377 0.622 2.29
  Pb4
Pb
0 0.0359 0.2516 0.175 3.4
  Si1
Si
0.179 0.2907 0.2956 0.736 1.17
  Si2
Si
0.3211 0.2169 0.2043 0.735 1.38
  Si3
Si
0.2546 0.9283 0.2076 0.736 1.18
  Si4
Si
0.1395 0.9238 0.5 0.736 1
  Si5
Si
0.1342 0.0843 0 1 1.1
  Si6
Si
0.2554 0.0779 0.2885 0.736 1.26
  Si7
Si
0.0794 0.2311 0 0.736 1.6
  Si8
Si
0.0817 0.7763 0.5 0.736 1.1
  Al1
Al
0.179 0.2907 0.2956 0.264 1.17
  Al2
Al
0.3211 0.2169 0.2043 0.264 1.38
  Al3
Al
0.2546 0.9283 0.2076 0.264 1.18
  Al4
Al
0.1395 0.9238 0.5 0.234 1
  Al6
Al
0.2554 0.0779 0.2885 0.234 1.26
  Al7
Al
0.0794 0.2311 0 0.234 1.6
  Al8
Al
0.0817 0.7763 0.5 0.234 1.1
  O1
O
0.1861 0.92 0.325 1 2.9
  O2
O
0.081 0.144 0 1 2.3
  O3
O
0.0932 0.9916 0.5 1 3.8
  O4
O
0.0862 0.8586 0.5 1 1.4
  O5
O
0.3443 0.2307 0 1 2.2
  O6
O
0.182 0.0864 0.1811 1 1.7
  O7
O
0.3134 0.1342 0.2417 1 2.3
  O8
O
0.1607 0.2769 0.5 1 3.5
  O9
O
0.0863 0.0162 0 1 2.4
  O10
O
0.1865 0.3708 0.2641 1 2
  O11
O
0.25 0.2536 0.2506 1 3.6
  O12
O
0.1164 0.2604 0.1761 1 3
  O13
O
0.3832 0.2424 0.3218 1 3.3
  O14
O
0.2897 0.003 0.246 1 2.5
  O15
O
0.2278 0.9219 0 1 2.5
  O16
O
0.234 0.0838 0.5 1 2
  O17
O
0 0.253 0 1 2.5
  O18
O
0 0.7557 0.5 1 2.6
  H2O19
O2-(H2O)
0 0.0828 0.3098 0.925 2.2
  H2O20
O2-(H2O)
0 0.231 0.5 0.95 2.6
  H2O21
O2-(H2O)
0.085 0.561 0 0.6 2.6
  H2O22
O2-(H2O)
0 0.501 0.099 0.5 2.6
  H2O23
O2-(H2O)
0.061 0.594 0.5 0.275 2.6
  H2O24
O2-(H2O)
0.077 0.456 0.241 0.175 2.6
  H2O25
O2-(H2O)
0.074 0.457 0.385 0.2 2.6
  H2O26
O2-(H2O)
0.079 0.871 0 0.575 2.6
  H2O27
O2-(H2O)
0.07 0.151 0.5 0.175 2.6
  H2O28
O2-(H2O)
0 0.933 0.215 0.475 2.6


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