CaAlF5
      Body M, Silly G, Legein C, Buzare J Y, Calvayrac F, Blaha P
      Journal of Solid State Chemistry 178 (2005) 3655-3661
      Structural investigations of beta-CaAlF5 by coupling powder XRD,
      NMR, EPR and spectroscopic parameter calculations
      Locality: synthetic
      _database_code_amcsd 0018520

      CELL PARAMETERS:    5.3361   9.8298   7.3271   90.000  109.911   90.000
      SPACE GROUP: P2_1/c    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    361.353
      Density (g/cm3):      2.978
      MAX. ABS. INTENSITY / VOLUME**2:      12.86165913    
      RIR:      1.406
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                19.87         42.95        4.4687    1   1   0         4
                20.14          1.84        4.4091   -1   1   1         4
                22.22          2.18        4.0010    0   2   1         4
                25.37        100.00        3.5109    1   2   0         4
                25.58          1.81        3.4818   -1   2   1         4
                25.87          5.32        3.4446    0   0   2         2
                25.91          5.23        3.4381   -1   0   2         2
                27.44         30.67        3.2507    0   1   2         4
                27.48         28.47        3.2454   -1   1   2         4
                31.72         17.58        2.8208    0   2   2         4
                31.76         13.74        2.8173   -1   2   2         4
                32.64          5.15        2.7434    1   3   0         4
                35.80          3.00        2.5086    2   0   0         2
                37.90          2.85        2.3741    0   3   2         4
                37.93          2.62        2.3720   -1   3   2         4
                38.25          1.66        2.3532   -1   1   3         4
                40.33          1.26        2.2362    0   1   3         4
                40.37          5.35        2.2344    2   2   0         4
                40.84          4.66        2.2096    1   2   2         4
                40.94          5.16        2.2045   -2   2   2         4
                41.03          1.51        2.1996   -1   4   1         4
                41.54          7.81        2.1737   -1   2   3         4
                43.76          2.63        2.0685   -2   3   1         4
                44.97          5.98        2.0158    1   4   1         4
                45.33          7.06        2.0005    0   4   2         4
                45.36          7.71        1.9993   -1   4   2         4
                45.54         25.91        1.9918    2   3   0         4
                45.97          2.06        1.9742    1   3   2         4
                46.06          1.36        1.9706   -2   3   2         4
                49.78         21.48        1.8318   -1   0   4         2
                49.82          1.54        1.8304    1   5   0         4
                50.50          1.74        1.8073   -2   4   1         4
                51.89          4.93        1.7622    2   0   2         2
                52.02          3.45        1.7579   -3   0   2         2
                52.10          4.43        1.7555    2   4   0         4
                52.49         11.65        1.7434    1   4   2         4
                52.57         10.20        1.7409   -2   4   2         4
                54.06          1.22        1.6964    0   1   4         4
                54.16          1.37        1.6934   -2   1   4         4
                54.90          2.10        1.6724    3   0   0         2
                55.18          1.19        1.6646   -3   2   1         4
                55.39          3.71        1.6588    2   2   2         4
                55.52          3.91        1.6552   -3   2   2         4
                55.76          1.32        1.6487    3   1   0         4
                56.63          6.89        1.6254    0   2   4         4
                56.73          5.30        1.6227   -2   2   4         4
                56.76          1.64        1.6218   -3   1   3         4
                57.85          1.95        1.5939    0   6   1         4
                58.03          1.69        1.5893   -2   4   3         4
                59.34          3.55        1.5574    1   6   0         4
                59.76          4.76        1.5474    2   5   0         4
                60.12          1.11        1.5391    1   5   2         4
                60.19          1.42        1.5374   -2   5   2         4
                62.83          1.28        1.4790   -1   6   2         4
                67.78          1.58        1.3826    3   4   0         4
                69.66          3.55        1.3498    1   3   4         4
                69.84          2.67        1.3468   -3   3   4         4
                70.47          1.53        1.3362    3   0   2         2
                70.63          1.29        1.3336   -4   0   2         2
                72.72          1.07        1.3004    0   7   2         4
                72.74          1.32        1.3000   -1   7   2         4
                77.72          1.69        1.2287    0   8   0         2
                78.74          1.19        1.2153    4   2   0         4
                81.09          1.05        1.1860   -2   6   4         4
                81.33          1.11        1.1831    1   5   4         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.