Gypsum
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R060509
      Schofield P F, Knight K S, Stretton I C
      American Mineralogist 81 (1996) 847-851
      Thermal expansion of gypsum investigated by neutron powder diffraction
      T = 4.2 K

      CELL PARAMETERS:   5.670704   15.19952   6.521550   90.00000   118.4271   90.00000
      ALTERNATE SETTING FOR SPACE GROUP: I2/a
      X-RAY WAVELENGTH:     1.541838
               2-THETA      INTENSITY    D-SPACING   H   K   L
                11.66         88.21        7.5998    0   2   0
                16.53         26.11        5.3659    0   1   1
                20.77        100.00        4.2781   -1   2   1
                23.41         15.37        3.7999    0   4   0
                23.43         12.01        3.7971    0   3   1
                25.06          4.09        3.5541    1   3   0
                28.16          2.01        3.1691   -1   1   2
                29.15         73.30        3.0631   -1   4   1
                31.13         52.99        2.8723    1   2   1
                31.19          2.72        2.8676    0   0   2
                32.80          1.57        2.7298   -1   3   2
                33.35          2.57        2.6859    0   5   1
                33.39         36.27        2.6830    0   2   2
                34.65          2.29        2.5881   -2   0   2
                36.01         12.46        2.4935    2   0   0
                36.33         23.16        2.4722   -2   3   1
                36.67          7.16        2.4499   -2   2   2
                37.41          4.35        2.4032    1   4   1
                39.35          1.18        2.2890    0   4   2
                42.24          1.22        2.1391   -2   4   2
                43.39         17.65        2.0847    2   4   0
                43.51          4.95        2.0794   -1   2   3
                44.27          2.86        2.0453   -2   1   3
                44.61          2.07        2.0307    0   7   1
                45.55          1.25        1.9908    1   7   0
                46.48          5.80        1.9531    2   1   1
                46.96          3.17        1.9340    1   3   2
                47.55          4.73        1.9115   -2   3   3
                47.90         17.29        1.8985    0   6   2
                48.42         13.69        1.8791   -1   4   3
                50.39         15.27        1.8104   -2   6   2
                50.79          5.69        1.7968   -3   2   1
                50.58          6.42        1.8038   -1   7   2
                51.20          2.87        1.7836   -1   8   1
                51.40         10.60        1.7771    2   6   0
                54.51          2.83        1.6826   -3   2   3
                55.22          7.09        1.6628   -3   4   1
                55.88          3.96        1.6445   -1   6   3
                56.80          6.66        1.6202   -2   0   4
                56.79          2.35        1.6202    1   8   1
                56.87          1.11        1.6183    0   5   3
                57.60          1.90        1.5996    1   9   0
                58.19          1.93        1.5846   -2   2   4
                58.22          2.31        1.5838    0   8   2
                58.74          1.14        1.5710   -3   4   3
                60.41          2.93        1.5316   -2   8   2
                61.31          1.43        1.5112    2   8   0
                64.75          4.75        1.4390    1   4   3
                65.01          2.44        1.4338    0   0   4
                65.93          3.37        1.4161   -4   0   2
                66.73          2.95        1.4010    3   2   1
                68.74          1.02        1.3649   -2   6   4
                68.73          6.07        1.3649    1  10   1
                70.11          1.52        1.3415    0   4   4
                70.52          1.93        1.3346    3   4   1
                71.10          2.85        1.3252   -3   8   1
                71.24          3.19        1.3229    2   6   2
                74.20          2.13        1.2773   -3   8   3
                74.93          1.07        1.2666    0  12   0
                76.34          1.70        1.2467    4   0   0
                76.10          1.63        1.2501   -3   2   5
                76.26          1.81        1.2478    0   6   4
                76.58          1.93        1.2434   -1  10   3
                77.12          1.06        1.2361   -4   6   2
                76.88          3.76        1.2393   -1   2   5
                77.55          2.33        1.2303    4   2   0
                77.36          1.54        1.2328   -2   8   4
                79.71          2.29        1.2022   -3   4   5
                79.63          3.51        1.2032    1   8   3
                79.76          2.73        1.2016    2   8   2
                80.49          1.26        1.1926   -1   4   5
                83.36          1.31        1.1586    0  12   2
                83.91          2.98        1.1524   -4   6   4
                84.63          1.14        1.1445    0   8   4
                84.99          5.93        1.1405   -3  10   3
                85.25          1.41        1.1377   -2  12   2
                87.06          1.65        1.1186    4   6   0
                87.06          1.65        1.1186    4   6   0
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.