Retgersite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R130119
      O'Connor B H, Dale D H
      Acta Crystallographica 21 (1966) 705-709
      A neutron diffraction analysis of the crystal
      structure of tetragonal nickel sulphate hexadeuterate
      Locality: synthetic
      _database_code_amcsd 0009303

      CELL PARAMETERS:   6.7852  6.7852 18.3030   90.000   90.000   90.000
      SPACE GROUP: P4_12_12  

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ni     0.21010   0.21010   0.00000     1.000     1.200
            S      0.71260   0.71260   0.00000     1.000     1.700
            O      0.62260   0.61910   0.06480     1.000     2.700
            O      0.92480   0.67570  -0.00030     1.000     1.900
            O      0.17140  -0.04890   0.05180     1.000     2.300
            O      0.47200   0.24490   0.05640     1.000     1.400
            O      0.06410   0.35640   0.08520     1.000     1.700
            D      0.07540  -0.14090   0.03990     1.000     2.400
            D      0.24930  -0.08620   0.09590     1.000     2.800
            D      0.56790   0.14110   0.04930     1.000     3.300
            D      0.54230   0.36860   0.05650     1.000     2.200
            D     -0.01150   0.46750   0.06810     1.000     3.000
            D     -0.01780   0.27330   0.11550     1.000     2.300

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  6 +/-  6 +/- 16
            MAX. ABS. INTENSITY / VOLUME**2:      21.45454868    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                13.92          7.97        6.3621    1   0   1
                19.12          6.76        4.6411    1   1   1
                19.40         33.85        4.5757    0   0   4
                20.91        100.00        4.2493    1   1   2
                23.59          4.57        3.7714    1   1   3
                26.27          9.30        3.3926    2   0   0
                26.72          4.57        3.3358    2   0   1
                28.05          1.99        3.1810    2   0   2
                30.14         15.40        2.9650    2   0   3
                30.72          2.52        2.9103    1   1   5
                31.05          2.24        2.8802    2   1   2
                32.17          1.82        2.7823    1   0   6
                32.86         16.51        2.7252    2   0   4
                34.85         12.86        2.5742    1   1   6
                35.50          5.18        2.5289    2   1   4
                38.54         11.32        2.3362    2   1   5
                39.24          1.22        2.2959    1   1   7
                40.17          1.22        2.2447    3   0   1
                41.66          1.01        2.1679    1   0   8
                42.42          6.94        2.1311    3   1   1
                42.55          3.57        2.1246    2   2   4
                42.63          3.82        2.1207    3   0   3
                43.31          5.20        2.0890    3   1   2
                44.69          1.18        2.0276    3   0   4
                44.77          3.45        2.0241    3   1   3
                45.81          3.71        1.9808    2   1   7
                46.76          1.09        1.9427    3   1   4
                47.96          5.64        1.8969    2   0   8
                48.37          2.06        1.8819    3   2   0
                49.22          4.65        1.8511    3   1   5
                49.45          1.09        1.8433    3   2   2
                49.92          3.06        1.8268    2   1   8
                52.11          6.08        1.7550    3   1   6
                53.59          4.44        1.7101    1   1  10
                54.31          2.92        1.6891    4   0   1
                55.39          1.30        1.6587    3   1   7
                55.50          3.73        1.6556    2   2   8
                56.11          1.37        1.6390    4   1   1
                56.29          2.57        1.6343    4   0   3
                57.88          1.02        1.5932    3   3   1
                60.12          1.88        1.5391    4   0   5
                61.31          1.69        1.5120    4   2   1
                62.97          1.19        1.4760    3   1   9
                65.60          1.10        1.4231    4   0   7
                66.74          1.57        1.4016    4   2   5
                67.23          1.14        1.3925    3   1  10
                67.31          1.19        1.3911    2   0  12
                67.85          1.01        1.3812    3   2   9
                72.73          1.46        1.3001    5   1   3
                75.35          1.51        1.2614    1   1  14
                76.11          1.16        1.2506    5   1   5
                80.81          1.06        1.1893    4   4   2
                81.09          1.66        1.1859    5   1   7
                87.63          1.18        1.1135    5   1   9
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.