Theophrastite
      Wyckoff R W G
      Crystal Structures 1 (1963) 239-444
      Second edition. Interscience Publishers, New York, New York
      Note: cadmium iodide structure
      _database_code_amcsd 0011791

      CELL PARAMETERS:    3.1170   3.1170   4.5950   90.000   90.000  120.000
      SPACE GROUP: P-3m1     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:     38.662
      Density (g/cm3):      3.895
      MAX. ABS. INTENSITY / VOLUME**2:      64.53994218    
      RIR:      5.396
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                19.32         90.32        4.5950    0   0   1         2
                33.19         36.64        2.6994    1   0   0         6
                38.69         85.97        2.3275    0   1   1         6
                38.69         14.03        2.3275    1   0   1         6
                39.21          3.55        2.2975    0   0   2         2
                52.29         23.87        1.7496    0   1   2         6
                52.29         23.87        1.7496    1   0   2         6
                59.29         20.66        1.5585    1   1   0         6
                60.44          3.23        1.5317    0   0   3         2
                62.98         16.71        1.4759    1   1   1        12
                69.66          3.80        1.3497    2   0   0         6
                70.72          9.73        1.3322    1   0   3         6
                70.72          2.48        1.3322    0   1   3         6
                73.07          2.24        1.2950    0   2   1         6
                73.07          8.61        1.2950    2   0   1         6
                73.41          3.79        1.2898    1   1   2        12
                82.97          4.47        1.1637    0   2   2         6
                82.97          4.47        1.1637    2   0   2         6
                84.30          1.87        1.1487    0   0   4         2
                89.77          5.14        1.0924    1   1   3        12
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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.