Gypsum
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R040029
      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:   5.674000   15.10490   6.490900   90.00000   118.5130   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        7.6050    0   2   0
                16.53         26.11        5.3683    0   1   1
                20.76        100.00        4.2821   -1   2   1
                23.41         15.37        3.8025    0   4   0
                23.43         12.01        3.7992    0   3   1
                25.05          4.09        3.5564    1   3   0
                28.15          2.01        3.1717   -1   1   2
                29.14         73.30        3.0656   -1   4   1
                31.13         52.99        2.8733    1   2   1
                31.18          2.72        2.8688    0   0   2
                32.79          1.57        2.7319   -1   3   2
                33.34          2.57        2.6876    0   5   1
                33.39         36.27        2.6842    0   2   2
                34.63          2.29        2.5908   -2   0   2
                36.00         12.46        2.4949    2   0   0
                36.31         23.16        2.4743   -2   3   1
                36.65          7.16        2.4524   -2   2   2
                37.41          4.35        2.4043    1   4   1
                39.34          1.18        2.2901    0   4   2
                42.21          1.22        2.1411   -2   4   2
                43.37         17.65        2.0860    2   4   0
                43.49          4.95        2.0808   -1   2   3
                44.24          2.86        2.0472   -2   1   3
                44.59          2.07        2.0320    0   7   1
                45.53          1.25        1.9922    1   7   0
                46.47          5.80        1.9539    2   1   1
                46.96          3.17        1.9347    1   3   2
                47.52          4.73        1.9133   -2   3   3
                47.88         17.29        1.8996    0   6   2
                48.40         13.69        1.8803   -1   4   3
                50.35         15.27        1.8119   -2   6   2
                50.76          5.69        1.7982   -3   2   1
                50.55          6.42        1.8051   -1   7   2
                51.17          2.87        1.7849   -1   8   1
                51.37         10.60        1.7782    2   6   0
                54.46          2.83        1.6843   -3   2   3
                55.18          7.09        1.6641   -3   4   1
                55.86          3.96        1.6456   -1   6   3
                56.76          6.66        1.6215   -2   0   4
                56.77          2.35        1.6212    1   8   1
                56.85          1.11        1.6191    0   5   3
                57.56          1.90        1.6007    1   9   0
                58.15          1.93        1.5859   -2   2   4
                58.20          2.31        1.5848    0   8   2
                58.69          1.14        1.5726   -3   4   3
                60.37          2.93        1.5328   -2   8   2
                61.28          1.43        1.5122    2   8   0
                64.74          4.75        1.4395    1   4   3
                64.99          2.44        1.4344    0   0   4
                65.87          3.37        1.4174   -4   0   2
                66.71          2.95        1.4016    3   2   1
                68.69          1.02        1.3660   -2   6   4
                68.70          6.07        1.3658    1  10   1
                70.09          1.52        1.3421    0   4   4
                70.50          1.93        1.3352    3   4   1
                71.05          2.85        1.3262   -3   8   1
                71.22          3.19        1.3234    2   6   2
                74.14          2.13        1.2784   -3   8   3
                74.88          1.07        1.2675    0  12   0
                76.30          1.70        1.2475    4   0   0
                76.03          1.63        1.2512   -3   2   5
                76.23          1.81        1.2484    0   6   4
                76.53          1.93        1.2443   -1  10   3
                77.05          1.06        1.2371   -4   6   2
                76.84          3.76        1.2400   -1   2   5
                77.51          2.33        1.2310    4   2   0
                77.30          1.54        1.2337   -2   8   4
                79.64          2.29        1.2033   -3   4   5
                79.60          3.51        1.2038    1   8   3
                79.73          2.73        1.2021    2   8   2
                80.44          1.26        1.1933   -1   4   5
                83.31          1.31        1.1594    0  12   2
                83.83          2.98        1.1535   -4   6   4
                84.59          1.14        1.1451    0   8   4
                84.91          5.93        1.1415   -3  10   3
                85.18          1.41        1.1386   -2  12   2
                87.01          1.65        1.1193    4   6   0
                87.01          1.65        1.1193    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.