Barite
      Jacobsen S D, Smyth J R, Swope R J, Downs R T
      The Canadian Mineralogist 36 (1998) 1053-1060
      Rigid-body character of the SO4 groups in celestine, anglesite and
      barite
      _database_code_amcsd 0005559

      CELL PARAMETERS:    7.1540   8.8790   5.4540   90.000   90.000   90.000
      SPACE GROUP: Pbnm      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    346.440
      Density (g/cm3):      4.474
      MAX. ABS. INTENSITY / VOLUME**2:      40.45701361    
      RIR:      2.944
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                15.91          1.63        5.5708    1   1   0         4
                20.00         13.86        4.4395    0   2   0         2
                20.48         32.33        4.3373    1   0   1         4
                22.82         49.69        3.8972    1   1   1         8
                23.59          9.74        3.7722    1   2   0         4
                24.89         26.19        3.5770    2   0   0         2
                25.88         97.69        3.4430    0   2   1         4
                26.87         66.33        3.3179    2   1   0         4
                28.78        100.00        3.1024    1   2   1         8
                31.56         51.68        2.8346    2   1   1         8
                32.75         10.37        2.7349    1   3   0         4
                32.84         46.47        2.7270    0   0   2         2
                36.21         14.45        2.4806    2   2   1         8
                36.76          1.18        2.4447    1   3   1         8
                38.75         15.22        2.3236    0   2   2         4
                39.11          4.81        2.3031    3   1   0         4
                39.52          6.89        2.2803    2   3   0         4
                40.64          1.07        2.2197    0   4   0         2
                40.83         27.18        2.2100    1   2   2         8
                41.65          2.79        2.1687    2   0   2         4
                42.61         46.55        2.1216    3   1   1         8
                42.65         36.60        2.1200    1   4   0         4
                42.93         50.50        2.1067    2   1   2         8
                42.99         39.96        2.1038    2   3   1         8
                43.06          2.16        2.1008    3   2   0         4
                44.04         20.60        2.0560    0   4   1         4
                46.61          1.37        1.9486    2   2   2         8
                47.06          7.84        1.9311    1   3   2         8
                49.06         19.51        1.8569    3   3   0         4
                51.07          3.75        1.7885    4   0   0         2
                51.89          5.67        1.7620    1   0   3         4
                52.02          6.09        1.7578    3   3   1         8
                52.17          5.13        1.7533    4   1   0         4
                52.98          4.23        1.7283    1   1   3         8
                53.14          2.54        1.7235    1   5   0         4
                54.55          7.75        1.6824    0   2   3         4
                54.85         15.97        1.6737    1   4   2         8
                55.01          3.93        1.6692    4   1   1         8
                55.38          1.94        1.6589    4   2   0         4
                55.95          1.36        1.6434    1   5   1         8
                56.16         10.28        1.6377    1   2   3         8
                57.83          9.32        1.5943    2   1   3         8
                57.98          1.81        1.5906    2   5   0         4
                58.12          2.81        1.5871    4   2   1         8
                60.30         20.15        1.5349    3   3   2         8
                60.65          9.22        1.5270    2   5   1         8
                60.85          1.73        1.5224    2   2   3         8
                62.06          3.92        1.4955    4   0   2         4
                63.03          9.63        1.4748    4   1   2         8
                63.08          4.19        1.4738    4   3   1         8
                63.90          4.48        1.4569    1   5   2         8
                65.34          4.90        1.4282    0   6   1         4
                65.40          9.59        1.4270    3   1   3         8
                65.54          5.27        1.4243    3   5   0         4
                65.68          9.57        1.4215    2   3   3         8
                65.90          2.21        1.4173    4   2   2         8
                66.48          6.41        1.4065    0   4   3         4
                66.79          9.46        1.4006    1   6   1         8
                67.70          5.42        1.3840    5   0   1         4
                68.03          4.98        1.3781    3   5   1         8
                68.86          6.67        1.3635    0   0   4         2
                68.96          2.63        1.3618    5   2   0         4
                69.68          5.59        1.3494    4   4   1         8
                71.07          1.16        1.3264    2   6   1         8
                71.39          6.00        1.3213    5   2   1         8
                72.52          1.02        1.3034    0   2   4         4
                72.70          2.79        1.3007    0   6   2         4
                72.80          3.25        1.2991    3   3   3         8
                73.91          1.31        1.2823    1   2   4         8
                74.09          1.16        1.2797    1   6   2         8
                74.47          1.52        1.2741    2   0   4         4
                75.27         11.15        1.2625    3   5   2         8
                75.30          2.42        1.2620    4   1   3         8
                75.36          6.23        1.2612    2   1   4         8
                77.79          2.39        1.2278    4   5   1         8
                77.97          1.20        1.2254    4   2   3         8
                78.36          1.64        1.2203    1   3   4         8
                78.51          4.56        1.2183    5   2   2         8
                78.58          1.05        1.2174    1   7   1         8
                79.74          4.70        1.2026    5   4   0         4
                80.18          3.13        1.1971    2   5   3         8
                80.31          4.06        1.1955    2   7   0         4
                80.57          2.26        1.1923    6   0   0         2
                82.35          1.86        1.1709    4   3   3         8
                82.63          1.18        1.1678    2   7   1         8
                84.40          2.12        1.1477    0   6   3         4
                84.48          7.32        1.1468    1   4   4         8
                85.74          3.36        1.1332    1   6   3         8
                86.35          4.05        1.1267    6   2   1         8
                86.57          2.77        1.1244    5   0   3         4
                86.88          2.89        1.1212    3   5   3         8
                87.99          2.76        1.1099    0   8   0         2
                88.42          2.74        1.1056    4   4   3         8
                88.95          5.82        1.1004    5   4   2         8
                89.09          5.85        1.0990    3   3   4         8
                89.30          4.15        1.0970    3   7   1         8
                89.51          5.14        1.0949    2   7   2         8
                89.77          2.29        1.0925    6   0   2         4
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.