ThS2
      Wyckoff R W G
      Crystal Structures 1 (1963) 298-306
      Second edition. Interscience Publishers, New York, New York
      _database_code_amcsd 0011879

      CELL PARAMETERS:    8.6170   7.2630   4.2670   90.000   90.000   90.000
      SPACE GROUP: Pbnm      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    267.051
      Density (g/cm3):      7.365
      MAX. ABS. INTENSITY / VOLUME**2:      182.3024688    
      RIR:      8.059
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                23.26         55.80        3.8239    1   0   1         4
                24.02        100.00        3.7056    2   1   0         4
                24.51         50.83        3.6315    0   2   0         2
                26.34         75.66        3.3836    1   1   1         8
                31.99          4.26        2.7978    2   1   1         8
                32.37          2.72        2.7655    0   2   1         4
                33.55          1.59        2.6710    3   1   0         4
                34.05         75.81        2.6332    1   2   1         8
                37.75         30.64        2.3828    3   0   1         4
                38.63          1.17        2.3308    1   3   0         4
                39.82         39.67        2.2640    3   1   1         8
                41.94         15.59        2.1542    4   0   0         2
                42.37         23.02        2.1335    0   0   2         2
                42.85         32.37        2.1106    2   3   0         4
                44.28         24.23        2.0455    1   3   1         8
                45.53         22.66        1.9922    3   2   1         8
                49.18         16.58        1.8528    4   2   0         4
                49.28         26.99        1.8489    2   1   2         8
                49.55         14.05        1.8395    0   2   2         4
                50.25          7.63        1.8158    0   4   0         2
                54.00          9.42        1.6982    3   3   1         8
                56.07          7.44        1.6402    1   4   1         8
                57.69          2.58        1.5980    5   0   1         4
                59.20          7.12        1.5607    5   1   1         8
                61.14          9.03        1.5159    4   0   2         4
                61.83         19.17        1.5005    2   3   2         8
                63.62          7.99        1.4626    5   2   1         8
                64.52          5.27        1.4442    3   4   1         8
                66.35          7.21        1.4089    6   1   0         4
                66.64          2.49        1.4033    1   0   3         4
                66.88         11.66        1.3989    4   2   2         8
                67.46          5.88        1.3884    4   4   0         4
                67.77          5.50        1.3828    0   4   2         4
                68.04          4.33        1.3779    1   1   3         8
                68.12          5.78        1.3765    2   5   0         4
                69.18          8.49        1.3579    1   5   1         8
                70.63          6.42        1.3337    5   3   1         8
                72.16          6.58        1.3090    1   2   3         8
                74.43          3.23        1.2746    3   0   3         4
                75.77          4.68        1.2554    3   1   3         8
                76.86          4.70        1.2403    3   5   1         8
                77.24          3.24        1.2352    6   3   0         4
                78.83          3.51        1.2141    1   3   3         8
                79.12          1.24        1.2105    0   6   0         2
                79.73          3.45        1.2027    3   2   3         8
                79.98          3.75        1.1996    5   4   1         8
                81.35          2.16        1.1828    7   0   1         4
                81.95          7.17        1.1757    6   1   2         8
                82.66          4.03        1.1674    7   1   1         8
                82.98          5.95        1.1637    4   4   2         8
                83.60          5.93        1.1566    2   5   2         8
                83.83          2.76        1.1541    1   6   1         8
                86.24          1.97        1.1279    3   3   3         8
                86.55          1.72        1.1246    7   2   1         8
                87.94          1.67        1.1104    1   4   3         8
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.