Botallackite
Diffraction data computed using the structute from the paper listed below,
along with the cell parameters refined from single crystal data of R070066
      Hawthorne F C
      Mineralogical Magazine 49 (1985) 87-89
      Refinement of the crystal structure of botallackite
      Locality: Botallack mine, Cornwall, England

      CELL PARAMETERS:   5.7180  6.1170  5.6300   90.000   93.090   90.000
      SPACE GROUP: P2_1/m    

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Cu     0.49140   0.25000  -0.00530     1.000     0.687
            Cu     0.50000   0.00000   0.50000     1.000     0.726
            Cl     0.13390   0.25000   0.29740     1.000     1.255
            O      0.66860   0.25000   0.62490     1.000     1.026
            O      0.64150   0.00760   0.18320     1.000     1.026
            H      0.77600   0.25000   0.53300     1.000     0.395
            H      0.73400   0.04200   0.16900     1.000     0.395

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    0.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/-  5
            MAX. ABS. INTENSITY / VOLUME**2:      72.34562102    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                15.52        100.00        5.7097    1   0   0
                21.47          2.40        4.1392    0   1   1
                26.08          1.51        3.4163   -1   1   1
                27.11          3.55        3.2898    1   1   1
                31.33         10.86        2.8548    2   0   0
                31.84          5.98        2.8109    0   0   2
                33.23          1.92        2.6961    1   2   0
                33.35         14.14        2.6866    0   2   1
                34.46          2.14        2.6027   -2   0   1
                34.68          2.28        2.5870    2   1   0
                34.81         23.67        2.5775   -1   0   2
                36.04          1.35        2.4918    2   0   1
                36.38          4.72        2.4697    1   0   2
                36.60          5.54        2.4555   -1   2   1
                37.36         37.03        2.4072    1   2   1
                43.97          8.20        2.0592   -2   0   2
                45.78         11.34        1.9822   -2   2   1
                46.55          4.23        1.9511    2   0   2
                47.04         11.69        1.9318    2   2   1
                47.79          3.57        1.9032    3   0   0
                56.95          2.95        1.6169   -3   0   2
                57.69          9.76        1.5979    0   2   3
                58.72          3.48        1.5723   -3   2   1
                59.34          5.39        1.5574   -1   2   3
                60.17          1.40        1.5379    3   0   2
                60.32          6.47        1.5345    3   2   1
                60.55          4.62        1.5293    0   4   0
                60.92          3.41        1.5207    1   2   3
                62.92          3.54        1.4772    1   4   0
                65.63          1.74        1.4225   -2   2   3
                66.53          1.33        1.4055    0   0   4
                68.61          2.73        1.3678    2   2   3
                69.76          1.85        1.3480    2   4   0
                69.77          1.66        1.3480    1   0   4
                70.04          1.14        1.3433    0   4   2
                71.77          3.82        1.3152   -1   4   2
                72.65          1.44        1.3014   -4   0   2
                72.73          1.22        1.3002    1   4   2
                73.48          1.15        1.2888   -2   0   4
                74.46          2.81        1.2742   -4   2   1
                75.98          1.92        1.2524   -3   2   3
                76.35          1.97        1.2473    4   2   1
                76.45          1.63        1.2459    4   0   2
                77.79          2.02        1.2277   -2   4   2
                79.66          1.41        1.2036    2   4   2
                80.58          1.31        1.1921    3   4   0
                87.87          1.27        1.1111   -3   4   2
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.