Chalcoalumite
      Hawthorne F C, Cooper M A
      Mineralogical Magazine 77 (2013) 2901-2912
      The crystal structure of chalcoalumite: mechanisms of Jahn-Teller-driven
      distortion in [6]Cu2+-containing oxysalts
      Locality: Bisbee, Arizona, USA
      _database_code_amcsd 0019969

      CELL PARAMETERS:   10.2280   8.9290  17.0980   90.000   95.800   90.000
      SPACE GROUP: P2_1/n    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   1553.495
      Density (g/cm3):      2.298
      MAX. ABS. INTENSITY / VOLUME**2:      20.45028247    
      RIR:      2.897
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                10.40        100.00        8.5052    0   0   2         2
                11.19         19.17        7.9060    0   1   1         4
                13.19          5.58        6.7115    1   1   0         4
                13.86          3.29        6.3902   -1   1   1         4
                14.51          4.05        6.1057    1   1   1         4
                16.27          3.97        5.4482   -1   1   2         4
                17.37          1.80        5.1058    1   1   2         4
                18.54          7.63        4.7866    0   1   3         4
                19.40          9.88        4.5746   -2   0   2         2
                20.57          2.51        4.3182    0   2   1         4
                20.89         40.65        4.2526    0   0   4         2
                21.18          1.83        4.1956    1   1   3         4
                21.24          8.59        4.1839    2   0   2         2
                24.02          2.41        3.7056   -1   1   4         4
                24.42          1.03        3.6449   -2   1   3         4
                25.39          1.22        3.5077    0   2   3         4
                26.64          1.31        3.3467    2   1   3         4
                26.73          1.90        3.3348   -2   2   1         4
                27.92          2.84        3.1951   -2   2   2         4
                28.07          3.54        3.1791    0   1   5         4
                29.25          9.97        3.0529    2   2   2         4
                30.03          1.34        2.9761   -2   2   3         4
                30.49          1.05        2.9318    0   3   1         4
                30.99          1.07        2.8861   -3   1   3         4
                32.88          5.94        2.7241   -2   2   4         4
                34.02          2.85        2.6353    0   3   3         4
                34.65          1.40        2.5885    2   1   5         4
                35.61         11.84        2.5213    2   3   1         4
                35.81          3.69        2.5078   -4   0   2         2
                37.58          1.08        2.3933    0   2   6         4
                38.64          1.44        2.3303   -4   1   3         4
                39.23         13.50        2.2964    2   3   3         4
                39.39          7.35        2.2873   -4   0   4         2
                40.41          1.16        2.2322    0   4   0         2
                40.83          2.81        2.2103    4   2   0         4
                41.60          1.32        2.1709    4   1   3         4
                43.12          1.98        2.0978    2   2   6         4
                45.31         16.43        2.0016    2   3   5         4
                45.43          7.80        1.9964   -4   0   6         2
                49.17          1.32        1.8528   -2   2   8         4
                50.35          2.36        1.8122   -2   3   7         4
                50.57          1.12        1.8049    4   0   6         2
                53.19          6.65        1.7221    2   3   7         4
                53.28          3.65        1.7192   -4   0   8         2
                59.19          2.76        1.5609   -2   3   9         4
                59.40          1.70        1.5559    4   0   8         2
                62.40          1.83        1.4882    0   6   0         2
                62.47          1.21        1.4866    2   3   9         4
                62.82          4.85        1.4792   -6   3   1         4
                63.46          2.99        1.4659    0   6   2         4
                63.86          2.29        1.4576   -6   3   3         4
                63.89          2.10        1.4571    6   3   1         4
                66.95          1.41        1.3976   -6   3   5         4
                67.01          1.07        1.3966    6   3   3         4
                69.31          2.59        1.3558   -2   3  11         4
                69.51          1.06        1.3523    4   0  10         2
                80.50          1.65        1.1931   -4   6   6         4
                80.69          1.49        1.1908   -2   3  13         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.