MoB
      Wyckoff R W G
      Crystal Structures 1 (1963) 85-237
      Second edition. Interscience Publishers, New York, New York
      _database_code_amcsd 0011631

      CELL PARAMETERS:    3.1050   3.1050  16.9700   90.000   90.000   90.000
      SPACE GROUP: I4_1/amd  
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    163.608
      Density (g/cm3):      8.667
      MAX. ABS. INTENSITY / VOLUME**2:      138.8023174    
      RIR:      5.215
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                20.94          6.32        4.2425    0   0   4         2
                29.24         17.13        3.0543    1   0   1         8
                32.91         95.46        2.7219    1   0   3         8
                39.33         97.64        2.2909    1   0   5         8
                42.53        100.00        2.1256    1   1   2         8
                42.62         27.89        2.1212    0   0   8         2
                47.59         33.92        1.9108    1   0   7         8
                52.78         16.67        1.7343    1   1   6         8
                59.55         28.58        1.5525    2   0   0         4
                63.84          1.21        1.4579    2   0   4         8
                66.07          3.59        1.4142    0   0  12         2
                67.70          2.55        1.3840    2   1   1        16
                67.83          4.75        1.3816    1   0  11         8
                69.73         17.12        1.3486    2   1   3        16
                70.08         23.36        1.3427    1   1  10         8
                73.72         23.80        1.2852    2   1   5        16
                75.95         15.90        1.2528    2   0   8         8
                79.55         11.87        1.2049    2   1   7        16
                79.68          9.17        1.2034    1   0  13         8
                89.22          7.90        1.0978    2   2   0         4
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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.