Boron
      Oganov A R, Chen J, Gatti C, Ma Y, Ma Y, Glass C W, Liu Z, Yu T, Kurakevych O O, Solozhenko V L
      Nature 457 (2009) 863-867
      Ionic high-pressure form of elemental boron
      Note: theoretical calculation
      _database_code_amcsd 0014681

      CELL PARAMETERS:    5.0540   5.6200   6.9870   90.000   90.000   90.000
      SPACE GROUP: Pnnm      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    198.455
      Density (g/cm3):      2.532
      MAX. ABS. INTENSITY / VOLUME**2:      1.399214065    
      RIR:      0.180
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                20.28         33.98        4.3792    0   1   1         4
                21.70         35.35        4.0950    1   0   1         4
                23.68         71.32        3.7579    1   1   0         4
                25.50         38.81        3.4935    0   0   2         2
                26.94          3.97        3.3096    1   1   1         8
                35.07         29.52        2.5587    1   1   2         8
                35.53         62.90        2.5270    2   0   0         2
                36.59         12.81        2.4559    1   2   0         4
                38.87        100.00        2.3170    1   2   1         8
                41.99         20.02        2.1516    0   1   3         4
                42.75         29.21        2.1152    1   0   3         4
                44.24          3.22        2.0475    2   0   2         4
                45.13         18.01        2.0091    1   2   2         8
                45.84         19.47        1.9796    1   1   3         8
                50.28          2.97        1.8145    2   2   1         8
                52.07          1.35        1.7565    1   3   0         4
                52.38          7.33        1.7467    0   0   4         2
                53.81          1.35        1.7035    1   3   1         8
                54.28          8.31        1.6899    1   2   3         8
                55.53          1.34        1.6548    2   2   2         8
                56.14          2.05        1.6382    2   1   3         8
                56.16          1.87        1.6377    3   0   1         4
                57.07          8.92        1.6137    3   1   0         4
                61.63         13.73        1.5049    2   3   0         4
                62.62         19.54        1.4835    0   2   4         4
                63.50          8.35        1.4650    3   1   2         8
                63.63          5.53        1.4624    2   2   3         8
                63.76          3.77        1.4597    0   3   3         4
                64.89          1.01        1.4369    2   0   4         4
                65.58          7.31        1.4234    1   2   4         8
                66.03         48.21        1.4150    3   2   1         8
                66.56          5.73        1.4050    0   4   0         2
                66.69         28.04        1.4024    1   3   3         8
                67.25         31.83        1.3921    2   1   4         8
                67.80         15.19        1.3821    2   3   2         8
                68.77         19.61        1.3650    3   0   3         4
                69.29          1.91        1.3561    0   1   5         4
                69.43         15.03        1.3537    1   4   0         4
                72.11         17.29        1.3098    1   1   5         8
                72.51         17.21        1.3035    0   4   2         4
                74.11          5.88        1.2793    2   2   4         8
                75.20         10.77        1.2635    4   0   0         2
                75.97          1.26        1.2526    3   3   0         4
                77.78          1.64        1.2280    2   4   0         4
                77.79          8.06        1.2278    3   2   3         8
                79.20          2.27        1.2094    2   4   1         8
                82.91          3.51        1.1645    0   0   6         2
                83.43          3.90        1.1585    2   4   2         8
                85.09          2.28        1.1401    2   3   4         8
                86.87          3.52        1.1213    2   2   5         8
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.