Titanite
      Hollabaugh C L, Foit F F
      American Mineralogist 69 (1984) 725-732
      The crystal structure of an Al-rich titanite from Grisons, Switzerland
      _database_code_amcsd 0000943

      CELL PARAMETERS:    7.0500   8.6810   6.5390   90.000  113.900   90.000
      SPACE GROUP: P2_1/a    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    365.879
      Density (g/cm3):      3.558
      MAX. ABS. INTENSITY / VOLUME**2:      16.58729999    
      RIR:      1.518
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.02         22.35        4.9237    0   1   1         4
                20.46          1.34        4.3405    0   2   0         2
                27.56        100.00        3.2363   -2   1   1         4
                27.68          3.22        3.2227    2   0   0         2
                29.57          2.77        3.0213    2   1   0         4
                29.89         72.87        2.9892    0   0   2         2
                31.51          6.42        2.8388   -2   0   2         2
                32.94          1.23        2.7188   -2   2   1         4
                34.39          1.13        2.6081   -1   2   2         4
                34.43         64.77        2.6046    0   3   1         4
                34.67         44.77        2.5875    2   2   0         4
                37.87          3.73        2.3758   -2   2   2         4
                38.14          4.57        2.3597    2   1   1         4
                39.54         18.61        2.2792    1   3   1         4
                39.78         10.73        2.2657   -3   1   1         4
                40.51          4.45        2.2270   -2   3   1         4
                41.61          2.12        2.1702    0   4   0         2
                41.96          1.63        2.1534   -3   1   2         4
                43.01         10.18        2.1032   -1   1   3         4
                43.51          4.84        2.0801    1   2   2         4
                43.91         17.14        2.0620   -2   1   3         4
                44.03         10.36        2.0568    1   4   0         4
                45.87          2.27        1.9785   -3   2   2         4
                46.77          6.95        1.9423    0   1   3         4
                48.67          1.29        1.8707    2   3   1         4
                49.27          3.41        1.8496    2   0   2         2
                50.71         10.34        1.8001    2   4   0         4
                51.79          1.37        1.7651    3   1   1         4
                52.08          1.28        1.7562    0   4   2         4
                52.47         12.15        1.7439   -4   0   2         2
                52.49          1.28        1.7434   -4   0   1         2
                52.76          1.07        1.7349   -1   3   3         4
                53.12         14.05        1.7241   -2   4   2         4
                53.54          2.91        1.7116   -2   3   3         4
                53.62          3.57        1.7093   -4   1   1         4
                53.88         18.88        1.7015    2   2   2         4
                55.33          1.58        1.6603   -1   5   1         4
                56.03         25.41        1.6412    0   3   3         4
                57.17          4.17        1.6114    4   0   0         2
                59.47         13.73        1.5543   -2   5   1         4
                60.64          7.32        1.5271   -2   2   4         4
                62.10          5.58        1.4946    0   0   4         2
                62.16         17.27        1.4933   -4   3   1         4
                62.93          1.19        1.4770    1   3   3         4
                64.39          2.52        1.4468    0   6   0         2
                65.13          5.13        1.4322    2   1   3         4
                65.79         11.37        1.4194   -4   0   4         2
                65.92          8.12        1.4170    2   5   1         4
                66.37          7.06        1.4085   -4   3   3         4
                66.41          2.63        1.4077    2   4   2         4
                70.01          9.49        1.3439   -2   5   3         4
                72.48          3.24        1.3040   -2   4   4         4
                72.59          7.64        1.3023    0   6   2         4
                73.24          1.26        1.2923   -2   1   5         4
                74.51          8.36        1.2734    4   3   1         4
                77.92          4.38        1.2260    4   0   2         2
                78.95          1.19        1.2126   -3   6   2         4
                81.17          1.13        1.1850    2   0   4         2
                81.72          1.28        1.1784   -3   3   5         4
                84.81          2.18        1.1431    2   2   4         4
                86.06          3.26        1.1298   -4   3   5         4
                87.60          1.62        1.1139    2   5   3         4
                87.63          1.56        1.1135   -4  -6   2         4
                88.31          3.66        1.1067    2   7   1         4
                88.48          5.38        1.1050    0   3   5         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.