Simonellite
      Foresti E, Riva di Sanseverino L
      Atti della Accademia Nazionale dei Lincei 47 (1969) 41-54
      The X-ray crystal and molecular structure of an organic mineral: simonellite, C19H24
      Locality: synthetic
      _database_code_amcsd 0012054

      CELL PARAMETERS:    9.2310   9.1340  36.0100   90.000   90.000   90.000
      SPACE GROUP: Pnaa      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   3036.217
      Density (g/cm3):      0.998
      MAX. ABS. INTENSITY / VOLUME**2:      2.727777991    
      RIR:      0.890
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                 4.91          1.53       18.0050    0   0   2         2
                 9.82         79.10        9.0025    0   0   4         2
                12.18          3.63        7.2688    0   1   3         4
                13.86         30.11        6.3897    1   1   1         8
                14.50         41.44        6.1078    1   1   2         8
                15.67          7.98        5.6555    0   1   5         4
                16.84        100.00        5.2660    1   1   4         8
                18.40         52.80        4.8224    1   1   5         8
                19.23          2.65        4.6155    2   0   0         2
                19.39          1.55        4.5780    2   0   1         4
                19.44         48.55        4.5670    0   2   0         2
                19.72          4.56        4.5012    0   0   8         2
                19.86          1.15        4.4709    2   0   2         4
                20.06          1.05        4.4268    0   2   2         4
                20.15          3.18        4.4072    1   1   6         8
                21.64          2.60        4.1072    2   0   4         4
                21.82          5.77        4.0729    0   2   4         4
                21.85         38.16        4.0672    1   2   1         8
                22.14          4.85        4.0157    2   1   2         8
                22.27         19.09        3.9916    1   2   2         8
                23.75          2.35        3.7459    2   1   4         8
                23.88         10.01        3.7263    1   2   4         8
                24.06          5.59        3.6992    1   1   8         8
                24.29          5.49        3.6649    0   1   9         4
                24.49          1.02        3.6344    0   2   6         4
                24.90          4.85        3.5758    2   1   5         8
                25.02         17.46        3.5588    1   2   5         8
                26.16          3.14        3.4063    1   1   9         8
                26.24          6.43        3.3964    2   1   6         8
                26.35          2.62        3.3817    1   2   6         8
                27.59          3.10        3.2333    2   2   1         8
                27.68          1.57        3.2225    2   0   8         4
                27.74          5.87        3.2155    2   1   7         8
                27.83          2.86        3.2059    0   2   8         4
                27.93          5.22        3.1949    2   2   2         8
                28.48          1.29        3.1338    2   2   3         8
                29.39          2.08        3.0389    2   1   8         8
                30.20          2.00        2.9596    2   2   5         8
                31.64          4.14        2.8277    0   2  10         4
                31.91          1.28        2.8044    0   3   5         4
                32.52          2.52        2.7529    1   3   4         8
                33.39          1.22        2.6833    1   3   5         8
                35.53          1.70        2.5266    3   2   2         8
                37.53          1.11        2.3967    2   3   5         8
                37.61          1.71        2.3913    1   1  14         8
                38.47          1.66        2.3403    2   3   6         8
                39.78          1.13        2.2662    4   0   3         4
                40.04          1.31        2.2517    1   1  15         8
                41.47          1.33        2.1774    3   1  11         8
                41.98          1.41        2.1524    1   4   4         8
                43.26          3.40        2.0913    3   1  12         8
                44.20          2.26        2.0489    0   3  13         4
                44.50          1.43        2.0359    3   3   6         8
                44.80          1.65        2.0229    2   0  16         4
                44.93          1.45        2.0176    2   4   3         8
                46.85          1.24        1.9390    1   4   9         8
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       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.