Devilline
      Sabelli C, Zanazzi P F
      Acta Crystallographica B28 (1972) 1182-1189
      The crystal structure of devillite
      Locality: Herrengrund, Hungary
      Note: z-coordinate of Cu7 altered to match reported bond lengths
      _database_code_amcsd 0009434

      CELL PARAMETERS:   20.8700   6.1350  22.1910   90.000  102.730   90.000
      SPACE GROUP: P2_1/c    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   2771.438
      Density (g/cm3):      3.081
      MAX. ABS. INTENSITY / VOLUME**2:      42.73029528    
      RIR:      4.515
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                 8.69        100.00       10.1785    2   0   0         2
                16.77          1.06        5.2851   -2   0   4         2
                16.91          2.31        5.2447   -2   1   1         4
                17.43         32.56        5.0893    4   0   0         2
                17.63          1.57        5.0303    1   1   2         4
                17.82          3.60        4.9779    2   1   1         4
                18.99          4.99        4.6738    0   1   3         4
                20.21          3.26        4.3936    2   0   4         2
                22.03          1.11        4.0346    2   1   3         4
                23.76          2.91        3.7447    4   1   1         4
                25.12          1.26        3.5449   -2   1   5         4
                25.18          1.62        3.5371    0   1   5         4
                26.27         24.46        3.3928    6   0   0         2
                26.56          1.25        3.3565    4   0   4         2
                27.79          3.67        3.2105   -6   0   4         2
                28.01          3.13        3.1857   -4   1   5         4
                28.16          5.54        3.1689    2   1   5         4
                29.57          1.22        3.0210   -6   1   1         4
                31.91          1.25        2.8047   -3   2   1         4
                32.31          3.41        2.7709   -2   0   8         2
                33.11          2.47        2.7057    0   0   8         2
                33.58         11.10        2.6686    0   2   4         4
                33.79          2.70        2.6530   -2   2   4         4
                33.92         11.40        2.6426   -4   0   8         2
                35.27          1.35        2.5446    8   0   0         2
                35.70         17.80        2.5152    2   2   4         4
                36.09          1.40        2.4890    4   2   2         4
                36.18          2.41        2.4826    2   0   8         2
                36.27          3.60        2.4767   -4   2   4         4
                37.68          7.38        2.3873   -6   0   8         2
                39.81         12.00        2.2643    4   2   4         4
                40.66          1.16        2.2190   -2   0  10         2
                40.68          3.92        2.2179   -6   2   4         4
                41.09          1.94        2.1968    4   0   8         2
                43.10          4.83        2.0988   -8   0   8         2
                45.47          6.51        1.9948    6   2   4         4
                46.56          3.58        1.9505   -8   2   4         4
                47.37          1.32        1.9193    6   0   8         2
                49.77          2.44        1.8322  -10   0   8         2
                52.30          6.61        1.7491    8   2   4         4
                53.57          1.76        1.7106  -10   2   4         4
                54.06          1.49        1.6964   12   0   0         2
                54.69          1.31        1.6783    8   0   8         2
                57.40          1.57        1.6053  -12   0   8         2
                58.30          4.51        1.5826   -2   2  12         4
                58.70          3.66        1.5729   -4   2  12         4
                59.45          1.40        1.5549    0   2  12         4
                60.09          1.32        1.5398   10   2   4         4
                60.35          1.26        1.5338    0   4   0         2
                60.61          1.22        1.5277   -6   2  12         4
                61.10          3.13        1.5166    2   4   0         4
                61.50          3.04        1.5077  -12   2   4         4
                62.07          2.14        1.4952    2   2  12         4
                63.33          1.21        1.4685    4   4   0         4
                63.97          1.18        1.4555   -8   2  12         4
                66.08          1.17        1.4139    4   2  12         4
                73.37          1.29        1.2904   -6   4   8         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.