PdPSe
      Foecker A J, Jeitschko W
      Journal of Solid State Chemistry 162 (2001) 69-78
      The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
      compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
      _database_code_amcsd 0014019

      CELL PARAMETERS:   13.5940   5.8317   5.8583   90.000   90.000   90.000
      SPACE GROUP: Pbcn      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    464.423
      Density (g/cm3):      6.188
      MAX. ABS. INTENSITY / VOLUME**2:      83.32031258    
      RIR:      4.385
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                13.03          1.00        6.7970    2   0   0         2
                22.48         34.95        3.9543    1   1   1         8
                24.88         19.95        3.5781    3   1   0         4
                25.22          2.26        3.5314    2   1   1         8
                26.22        100.00        3.3985    4   0   0         2
                29.25         10.45        3.0536    3   1   1         8
                30.66         31.20        2.9158    0   2   0         2
                31.24         34.85        2.8634    1   0   2         4
                33.31          8.56        2.6900    2   0   2         4
                34.16         29.86        2.6250    4   1   1         8
                34.91         12.45        2.5703    1   1   2         8
                35.00         31.37        2.5635    1   2   1         8
                36.46          3.08        2.4642    5   1   0         4
                36.53         19.09        2.4599    3   0   2         4
                36.79          3.30        2.4427    2   1   2         8
                36.89          2.48        2.4369    2   2   1         8
                39.68         21.89        2.2714    5   1   1         8
                39.77          8.70        2.2665    3   1   2         8
                39.85          3.15        2.2619    3   2   1         8
                40.77         22.99        2.2130    4   2   0         4
                43.81          1.43        2.0665    0   2   2         4
                44.34         14.33        2.0430    1   2   2         8
                45.52          8.46        1.9927    5   0   2         4
                45.66          2.60        1.9867    6   1   1         8
                48.34         12.54        1.8830    5   2   1         8
                48.41         18.27        1.8802    3   2   2         8
                49.47          4.23        1.8425    7   1   0         4
                49.88         17.73        1.8282    1   3   1         8
                50.96         12.14        1.7921    6   0   2         4
                51.05          2.14        1.7891    6   2   0         4
                51.13         46.50        1.7866    2   1   3         8
                51.13          3.11        1.7865    3   3   0         4
                51.31         17.99        1.7806    2   3   1         8
                51.78          1.66        1.7657    4   2   2         8
                53.46          1.28        1.7141    3   1   3         8
                53.56          2.79        1.7111    6   2   1         8
                53.64          4.56        1.7088    3   3   1         8
                53.96          1.49        1.6992    8   0   0         2
                55.88          1.98        1.6452    5   2   2         8
                56.74          4.33        1.6225    0   2   3         4
                56.89          3.79        1.6186    7   0   2         4
                57.18          1.45        1.6111    1   2   3         8
                57.28          3.79        1.6083    1   3   2         8
                58.36          1.36        1.5813    5   3   0         4
                58.75         12.71        1.5716    8   1   1         8
                59.31          1.41        1.5581    7   2   1         8
                60.49          2.29        1.5305    5   1   3         8
                60.66         10.28        1.5267    5   3   1         8
                60.72          3.76        1.5252    3   3   2         8
                63.35          3.06        1.4681    8   2   0         4
                63.54          2.33        1.4642    4   2   3         8
                65.05          9.41        1.4338    6   1   3         8
                65.21          4.13        1.4306    6   3   1         8
                65.83          9.27        1.4187    9   1   1         8
                66.02          7.69        1.4152    7   2   2         8
                67.19          3.34        1.3933    5   2   3         8
                68.27          1.88        1.3739    7   3   0         4
                69.63          2.37        1.3502    2   3   3         8
                70.23          1.37        1.3401    7   1   3         8
                71.59          1.24        1.3181    3   3   3         8
                72.06          1.26        1.3106    4   1   4         8
                72.18          1.73        1.3088    0   2   4         4
                72.21          1.09        1.3083    9   1   2         8
                72.41          1.93        1.3052    0   4   2         4
                73.31          1.86        1.2913   10   1   1         8
                74.29          1.34        1.2768    4   3   3         8
                75.63          1.93        1.2574    3   2   4         8
                75.86          4.35        1.2542    3   4   2         8
                76.51          1.35        1.2451    7   2   3         8
                77.39          2.60        1.2331   10   0   2         4
                77.47          1.40        1.2321   10   2   0         4
                77.63          1.02        1.2300    6   0   4         4
                77.92          2.30        1.2260    6   4   0         4
                78.28          2.43        1.2213    4   2   4         8
                78.50          2.50        1.2184    4   4   2         8
                80.54          1.04        1.1927    9   3   0         4
                81.83          2.51        1.1771    6   3   3         8
                82.40          1.28        1.1704    9   1   3         8
                82.49          2.08        1.1693    7   0   4         4
                82.54          2.17        1.1687    9   3   1         8
                84.68          5.71        1.1446    1   1   5         8
                85.11          3.26        1.1399    1   5   1         8
                85.95          1.93        1.1310    6   4   2         8
                86.22          5.08        1.1280    2   5   1         8
                87.29          1.99        1.1170   11   2   1         8
                87.63          4.07        1.1135    3   1   5         8
                88.07          1.14        1.1091    3   5   1         8
                88.33          1.72        1.1065    8   4   0         4
                89.76          2.92        1.0925   12   1   1         8
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.