Retgersite
      McIntyre G J, Ptasiewicz-Bak H, Olovsson I
      Acta Crystallographica B46 (1990) 27-39
      Bonding deformation and superposition effects in the
      electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O
      Sample: neutron refinement
      Note: anisoU's from ICSD
      _database_code_amcsd 0009837

      CELL PARAMETERS:    6.7803   6.7803  18.2880   90.000   90.000   90.000
      SPACE GROUP: P4_32_12  
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    840.745
      Density (g/cm3):      2.076
      MAX. ABS. INTENSITY / VOLUME**2:      22.04741313    
      RIR:      3.458
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                13.93          8.48        6.3574    1   0   1         8
                19.14          7.33        4.6377    1   1   1         8
                19.41         32.84        4.5720    0   0   4         2
                20.92        100.00        4.2461    1   1   2         8
                23.61          4.80        3.7685    1   1   3         8
                26.29          9.19        3.3902    2   0   0         4
                26.74          4.90        3.3334    2   0   1         8
                28.07          1.90        3.1787    2   0   2         8
                29.46          1.22        3.0322    2   1   0         8
                30.16         15.44        2.9628    2   0   3         8
                30.75          2.41        2.9080    1   1   5         8
                31.07          2.09        2.8781    2   1   2         8
                32.20          1.66        2.7800    1   0   6         8
                32.89         16.47        2.7232    2   0   4         8
                34.88         12.77        2.5722    1   1   6         8
                35.53          5.19        2.5270    2   1   4         8
                38.57         11.39        2.3344    2   1   5         8
                39.27          1.22        2.2941    1   1   7         8
                40.20          1.31        2.2430    3   0   1         8
                42.45          7.23        2.1295    3   1   1         8
                42.58          3.75        2.1231    2   2   4         8
                42.67          3.90        2.1191    3   0   3         8
                43.35          5.08        2.0875    3   1   2         8
                44.73          1.27        2.0261    3   0   4         8
                44.81          3.67        2.0227    3   1   3         8
                45.85          3.84        1.9792    2   1   7         8
                46.80          1.21        1.9412    3   1   4         8
                48.00          5.87        1.8954    2   0   8         8
                48.40          2.02        1.8805    3   2   0         8
                49.26          4.96        1.8497    3   1   5         8
                49.96          2.97        1.8254    2   1   8         8
                52.16          6.45        1.7537    3   1   6         8
                53.64          4.73        1.7087    1   1  10         8
                54.36          3.18        1.6878    4   0   1         8
                55.44          1.50        1.6574    3   1   7         8
                55.55          4.01        1.6544    2   2   8         8
                56.16          1.52        1.6379    4   1   1         8
                56.34          2.75        1.6331    4   0   3         8
                57.92          1.08        1.5921    3   3   1         8
                60.17          2.03        1.5379    4   0   5         8
                60.78          1.09        1.5240    0   0  12         2
                61.36          1.87        1.5109    4   2   1         8
                62.05          1.10        1.4957    4   2   2         8
                63.03          1.37        1.4749    3   1   9         8
                65.66          1.21        1.4220    4   0   7         8
                66.79          1.80        1.4006    4   2   5         8
                67.29          1.27        1.3914    3   1  10         8
                67.37          1.33        1.3900    2   0  12         8
                67.91          1.06        1.3802    3   2   9         8
                71.08          1.07        1.3262    5   1   1         8
                72.02          1.18        1.3113    4   2   7         8
                72.80          1.75        1.2992    5   1   3         8
                75.42          1.76        1.2603    1   1  14         8
                76.18          1.37        1.2497    5   1   5         8
                80.89          1.26        1.1884    4   4   2         8
                81.16          1.94        1.1851    5   1   7         8
                87.71          1.41        1.1127    5   1   9         8
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.