ThS
      Wyckoff R W G
      Crystal Structures 1 (1963) 85-237
      Second edition. Interscience Publishers, New York, New York
      rocksalt structure
      _database_code_amcsd 0011422

      CELL PARAMETERS:    5.6820   5.6820   5.6820   90.000   90.000   90.000
      SPACE GROUP: Fm3m      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    183.444
      Density (g/cm3):      9.561
      MAX. ABS. INTENSITY / VOLUME**2:      521.9234901    
      RIR:     17.774
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                27.18        100.00        3.2805    1   1   1         8
                31.49         96.04        2.8410    2   0   0         6
                45.13         65.88        2.0089    2   2   0        12
                53.49         42.65        1.7132    3   1   1        24
                56.07         21.42        1.6403    2   2   2         8
                65.74          9.27        1.4205    4   0   0         6
                72.51         15.00        1.3035    3   3   1        24
                74.71         23.96        1.2705    4   2   0        24
                83.32         17.03        1.1598    4   2   2        24
                89.66          7.80        1.0935    5   1   1        24
                89.66          2.60        1.0935    3   3   3         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.