Herbertsmithite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R070099
      Braithwaite R S W, Mereiter K, Paar W H, Clark A M
      Mineralogical Magazine 68 (2004) 527-539
      Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite
      Note: structure was sent to us from Kurt Mereiter by email
      Locality: Mina Los Tres Presidentes, Sierra Gorda, Chile
      _database_code_amcsd 0014574

      CELL PARAMETERS:   6.8390  6.8390 14.0790   90.000   90.000  120.000
      SPACE GROUP: R-3m      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Zn     0.00000   0.00000   0.00000     1.000     0.776
            Cu     0.50000   0.00000   0.00000     1.000     0.704
            O      0.20560  -0.20560   0.06120     1.000     0.859
            Cl     0.00000   0.00000   0.19430     1.000     1.040
            H      0.13750  -0.13750   0.08620     1.000     3.158

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/- 12
            MAX. ABS. INTENSITY / VOLUME**2:      42.53721972    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.91         90.20        4.6930    0   0   3
                19.59          2.39        4.5320    0   1   2
                26.06          5.96        3.4195    1   1   0
                29.52          1.90        3.0258    1   0   4
                30.86        100.00        2.8980    0   2   1
                32.39          9.20        2.7637    1   1   3
                32.81         20.07        2.7297    2   0   2
                35.29         10.90        2.5430    0   1   5
                38.36         12.51        2.3465    0   0   6
                39.78         73.64        2.2660    0   2   4
                40.82          5.76        2.2108    2   1   1
                44.39         37.37        2.0406    2   0   5
                46.96          1.48        1.9348    1   1   6
                50.13          4.63        1.8198    0   3   3
                52.20          1.12        1.7523    1   2   5
                53.60         31.77        1.7098    2   2   0
                55.21         16.96        1.6638    0   2   7
                57.36         19.34        1.6065    2   2   3
                57.62          1.61        1.5997    3   1   2
                59.05          2.11        1.5643    0   0   9
                61.27          8.66        1.5129    2   0   8
                61.37          1.58        1.5107    3   0   6
                62.03          1.52        1.4961    2   1   7
                63.14         12.34        1.4726    4   0   1
                64.29          5.31        1.4490    0   4   2
                67.73          2.00        1.3835    1   2   8
                67.82         15.81        1.3818    2   2   6
                68.78          9.07        1.3648    4   0   4
                72.07          7.66        1.3105    0   4   5
                74.64          7.34        1.2715    0   2  10
                78.10          1.79        1.2237    2   3   5
                80.56          3.06        1.1924    4   0   7
                82.02          6.99        1.1749    2   0  11
                83.82          5.83        1.1541    2   2   9
                85.75          1.90        1.1330    0   4   8
                87.41          2.21        1.1158    2   4   1
                88.44          1.38        1.1054    4   2   2
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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.