Simonkolleite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R130616
      Hawthorne F C, Sokolova E V
      The Canadian Mineralogist 40 (2002) 939-946
      Simonkolleite, Zn5(OH)8Cl2(H2O), a decorated interrupted-sheet structure
      of the form [M_2]4
      _database_code_amcsd 0005776

      CELL PARAMETERS:   6.3400  6.3400 23.6540   90.000   90.000  120.000
      SPACE GROUP: R-3m      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Zn     0.50000   0.00000   0.00000     1.000     0.963
            Zn     0.00000   0.00000   0.07172     1.000     0.979
            Cl     0.00000   0.00000   0.16948     1.000     1.998
            Oh     0.82880   0.17120   0.04988     1.000     0.987
            Oh     0.00000   0.00000   0.37410     1.000     0.924
            Wa     0.96900   0.03100   0.50200     0.167     2.914
            H      0.78600   0.21400   0.08600     1.000     3.948
            H      0.00000   0.00000   0.41550     1.000     3.948

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/- 21
            MAX. ABS. INTENSITY / VOLUME**2:      49.98248447    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                11.22        100.00        7.8847    0   0   3
                16.57         10.76        5.3484    1   0   1
                22.09         14.16        4.0236    1   0   4
                22.55          6.71        3.9423    0   0   6
                24.84         18.50        3.5840    0   1   5
                28.15         16.93        3.1700    1   1   0
                30.39         15.86        2.9412    1   1   3
                31.08         21.68        2.8778    1   0   7
                32.84         25.44        2.7270    0   2   1
                33.51         33.95        2.6742    2   0   2
                34.45         16.04        2.6033    0   1   8
                36.37          6.71        2.4704    1   1   6
                37.89         17.66        2.3745    2   0   5
                41.57          2.87        2.1724    1   0  10
                43.79          2.18        2.0673    2   1   1
                44.79         16.87        2.0233    1   1   9
                45.06          4.80        2.0118    2   0   8
                46.05          4.04        1.9712    0   0  12
                46.37          4.26        1.9582    2   1   4
                47.86          5.19        1.9004    1   2   5
                49.82          2.35        1.8302    3   0   0
                50.96          5.13        1.7920    0   2  10
                51.24          1.52        1.7828    3   0   3
                51.69          9.55        1.7684    2   1   7
                53.98          8.58        1.6986    1   2   8
                54.18          8.03        1.6929    2   0  11
                54.84          1.29        1.6739    1   1  12
                55.34          1.26        1.6600    3   0   6
                58.21         18.78        1.5850    2   2   0
                58.53          1.27        1.5769    0   0  15
                59.23          1.95        1.5600    2   1  10
                59.49          7.14        1.5539    2   2   3
                61.10         10.66        1.5167    0   2  13
                61.77          2.54        1.5019    0   3   9
                61.77          2.56        1.5019    3   0   9
                63.04          1.46        1.4747    1   3   4
                63.23          1.58        1.4706    2   2   6
                64.26          1.79        1.4496    3   1   5
                64.79          3.49        1.4389    2   0  14
                67.46          3.17        1.3884    1   3   7
                68.47          3.00        1.3703    4   0   1
                68.86          2.93        1.3635    0   4   2
                69.42          3.39        1.3538    3   1   8
                71.58          1.66        1.3183    0   4   5
                72.64          4.05        1.3016    0   2  16
                77.24          3.84        1.2352    2   2  12
                81.56          1.48        1.1803    3   2   7
                83.40          1.77        1.1589    2   3   8
                83.56          1.77        1.1570    0   4  11
                83.64          1.09        1.1562    0   1  20
                87.20          2.15        1.1179    2   2  15
                89.42          2.83        1.0958    4   0  13
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.