Calciborite
      Shashkin D N, Simonov M A, Belov N V
      Doklady Akademii Nauk SSSR 195 (1970) 345-348
      Crystal structure of calciborite CaB2O4=Ca2[BO3BO]2
      _database_code_amcsd 0012450

      CELL PARAMETERS:    8.3800  13.8200   5.0060   90.000   90.000   90.000
      SPACE GROUP: Pccn      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    579.753
      Density (g/cm3):      2.880
      MAX. ABS. INTENSITY / VOLUME**2:      7.358837970    
      RIR:      0.832
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                12.35         63.41        7.1656    1   1   0         4
                12.81          9.74        6.9100    0   2   0         2
                21.66          7.49        4.1037    1   1   1         8
                22.02         21.56        4.0369    1   3   0         4
                24.39         12.35        3.6494    1   2   1         8
                24.85         47.02        3.5828    2   2   0         4
                25.79        100.00        3.4550    0   4   0         2
                28.40          3.33        3.1424    1   3   1         8
                28.52         13.78        3.1296    2   1   1         8
                30.69         33.42        2.9135    2   2   1         8
                32.71         10.27        2.7380    3   1   0         4
                33.62         37.34        2.6656    2   4   0         4
                34.02         16.58        2.6354    2   3   1         8
                34.16         16.27        2.6249    1   5   0         4
                36.48         17.19        2.4629    0   1   2         4
                37.44          8.51        2.4021    3   1   1         8
                37.50         41.80        2.3983    1   0   2         4
                37.66          3.44        2.3885    3   3   0         4
                38.73          3.32        2.3247    1   5   1         8
                39.11         12.82        2.3033    0   6   0         2
                39.16          5.08        2.3002    3   2   1         8
                39.78         11.61        2.2657    1   2   2         8
                41.04          5.41        2.1993    0   3   2         4
                41.91          5.36        2.1557    3   3   1         8
                42.58          2.91        2.1233    2   1   2         8
                43.17          7.75        2.0954    2   5   1         8
                43.18         17.68        2.0950    4   0   0         2
                44.63          8.33        2.0301    1   6   1         8
                45.23         12.14        2.0049    4   2   0         4
                46.07         57.17        1.9702    1   4   2         8
                46.21          4.95        1.9647    3   5   0         4
                47.30          7.17        1.9217    1   7   0         4
                48.64         13.68        1.8720    2   6   1         8
                48.86         48.63        1.8641    3   0   2         4
                48.94          2.31        1.8612    4   2   1         8
                49.10         22.95        1.8553    0   5   2         4
                49.86          1.73        1.8289    3   5   1         8
                50.90          5.75        1.7940    1   7   1         8
                50.98         36.53        1.7914    4   4   0         4
                53.01          6.58        1.7275    0   8   0         2
                54.56         11.94        1.6821    2   7   1         8
                54.82          2.65        1.6747    3   6   1         8
                55.21          2.23        1.6638    5   1   0         4
                56.06         15.92        1.6406    3   4   2         8
                57.13          6.64        1.6122    3   7   0         4
                57.50          1.32        1.6029    1   8   1         8
                57.78          6.50        1.5958    4   1   2         8
                57.91          1.14        1.5925    1   2   3         8
                58.45          1.35        1.5789    5   1   1         8
                59.65          3.38        1.5501    0   7   2         4
                59.70          3.56        1.5489    5   2   1         8
                60.05          2.40        1.5406    2   1   3         8
                60.31          4.29        1.5346    3   7   1         8
                60.89          4.52        1.5215    2   8   1         8
                61.28          3.86        1.5127    2   2   3         8
                61.38          1.68        1.5104    1   9   0         4
                61.74          2.59        1.5024    5   3   1         8
                62.76          1.85        1.4805    4   6   1         8
                63.29          3.78        1.4693    2   3   3         8
                64.05          2.07        1.4538    2   7   2         8
                64.29          6.34        1.4490    3   6   2         8
                65.09          1.17        1.4331    5   5   0         4
                66.30          1.35        1.4098    3   8   1         8
                67.00          4.60        1.3967    6   0   0         2
                67.22          3.77        1.3926    5   0   2         4
                67.43          2.34        1.3890    4   5   2         8
                68.05          1.34        1.3778    5   5   1         8
                69.52          1.46        1.3521    2   5   3         8
                70.31          1.29        1.3390    6   1   1         8
                70.60          1.14        1.3341    1   6   3         8
                70.68          1.00        1.3328    4   8   0         4
                72.17          1.45        1.3089    0   9   2         4
                72.22          3.57        1.3081    5   6   1         8
                73.66          3.49        1.2861    2   6   3         8
                74.78          1.48        1.2695    2  10   1         8
                74.95          6.32        1.2671    3   8   2         8
                75.45          1.20        1.2599    1   7   3         8
                76.05          9.36        1.2515    0   0   4         2
                76.44          6.32        1.2461    4   7   2         8
                77.03          2.52        1.2380    5   7   1         8
                78.44          3.55        1.2193    2   7   3         8
                79.48          1.27        1.2059    1  11   1         8
                80.15          1.77        1.1974    1  10   2         8
                80.54          1.39        1.1927    7   1   0         4
                80.61          2.38        1.1917    5   6   2         8
                81.46          1.15        1.1815    2   2   4         8
                81.86          3.95        1.1767    0   4   4         4
                82.42          3.56        1.1701    2  11   1         8
                82.47          1.04        1.1696    5   8   1         8
                82.82          1.24        1.1656    5   2   3         8
                83.35          1.28        1.1595    3   7   3         8
                83.85          1.19        1.1538    2   8   3         8
                84.57          2.41        1.1458    3  11   0         4
                85.27          1.02        1.1382    3   1   4         8
                85.77          2.15        1.1329    2   4   4         8
                86.07          1.65        1.1297    1   5   4         8
                86.72          2.32        1.1229    0  11   2         4
                87.40          1.16        1.1158    6   5   2         8
                87.74          1.19        1.1124    1  12   1         8
                87.81          1.41        1.1117    6   7   1         8
                87.97          2.08        1.1100    4   9   2         8
                89.02          1.37        1.0997    0   6   4         4
                89.14          2.31        1.0985    7   5   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.