CaSO4
      Crichton W A, Parise J B, Antao S M, Grzechnik A
      American Mineralogist 90 (2005) 22-27
      Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4
      at high pressure and temperature
      Sample: P = 21 GPa, T = 1450 K
      _database_code_amcsd 0003662

      CELL PARAMETERS:    6.3365   7.5347   4.9532   90.000   90.000   90.000
      SPACE GROUP: Pbnm      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    236.484
      Density (g/cm3):      3.823
      MAX. ABS. INTENSITY / VOLUME**2:      10.61941529    
      RIR:      0.904
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                18.29          6.57        4.8496    1   1   0         4
                22.79          4.82        3.9024    1   0   1         4
                23.62          1.23        3.7673    0   2   0         2
                25.71          6.39        3.4652    1   1   1         8
                27.55          5.66        3.2382    1   2   0         4
                28.17         31.06        3.1683    2   0   0         2
                29.80         78.06        2.9986    0   2   1         4
                30.61         25.95        2.9206    2   1   0         4
                33.05        100.00        2.7104    1   2   1         8
                35.69         77.76        2.5158    2   1   1         8
                36.27         50.00        2.4766    0   0   2         2
                37.08         10.50        2.4248    2   2   0         4
                40.92         20.64        2.2056    1   1   2         8
                41.46         31.21        2.1778    2   2   1         8
                42.82          1.70        2.1120    1   3   1         8
                43.74         12.00        2.0695    0   2   2         4
                44.55          5.21        2.0338    3   1   0         4
                46.12          5.76        1.9682    2   3   0         4
                46.14         19.09        1.9672    1   2   2         8
                46.76          1.85        1.9429    3   0   1         4
                48.18         31.79        1.8889    2   1   2         8
                48.38         18.68        1.8814    3   1   1         8
                49.47          2.55        1.8424    3   2   0         4
                49.86         14.14        1.8291    2   3   1         8
                50.55         39.02        1.8056    1   4   0         4
                51.93          3.28        1.7607    0   4   1         4
                53.03          1.72        1.7268    3   2   1         8
                53.97          1.20        1.6989    1   3   2         8
                56.97         10.01        1.6165    3   3   0         4
                58.75          3.94        1.5717    3   1   2         8
                59.64          2.76        1.5502    4   1   0         4
                60.04          1.43        1.5409    2   3   2         8
                60.22         10.91        1.5367    3   3   1         8
                61.30          3.38        1.5122    0   2   3         4
                62.81          3.19        1.4795    4   1   1         8
                63.22          5.59        1.4709    1   2   3         8
                63.79          4.98        1.4590    1   4   2         8
                64.87          9.38        1.4373    2   1   3         8
                66.51          1.41        1.4058    3   4   0         4
                66.51          3.20        1.4058    1   5   1         8
                68.79          2.50        1.3647    2   2   3         8
                69.43         12.10        1.3537    3   3   2         8
                71.84          7.13        1.3140    4   1   2         8
                73.94          2.21        1.2818    3   1   3         8
                75.10          2.05        1.2649    2   3   3         8
                75.33          1.42        1.2616    1   5   2         8
                76.76          1.16        1.2416    0   4   3         4
                77.01          6.22        1.2383    0   0   4         2
                77.79          1.39        1.2278    5   0   1         4
                77.87          1.01        1.2267    3   5   0         4
                78.59          3.69        1.2173    0   6   1         4
                80.32          4.34        1.1954    1   6   1         8
                80.69          2.51        1.1908    3   5   1         8
                81.71          4.33        1.1785    4   3   2         8
                82.66          2.25        1.1673    5   2   1         8
                83.74          3.65        1.1551    3   3   3         8
                85.10          1.23        1.1401    2   1   4         8
                86.02          1.60        1.1301    4   1   3         8
                89.06          3.95        1.0993    3   5   2         8
                89.37          1.07        1.0963    1   5   3         8
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       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.