Protoenstatite
      Jahn S, Martonak R
      American Mineralogist 94 (2009) 950-956
      Phase behavior of protoenstatite at high pressure studied by atomistic simulations
      Locality: theoretical structure
      _database_code_amcsd 0004955

      CELL PARAMETERS:    9.1710   8.5130   5.2540   90.000   90.000   90.000
      SPACE GROUP: Pbcn      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    410.194
      Density (g/cm3):      3.251
      MAX. ABS. INTENSITY / VOLUME**2:      13.09424450    
      RIR:      1.312
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                14.20          3.46        6.2393    1   1   0         4
                19.36          1.03        4.5855    2   0   0         2
                20.87          5.14        4.2565    0   2   0         2
                22.12          2.17        4.0189    1   1   1         8
                27.87         21.43        3.2012    2   1   1         8
                28.61         22.88        3.1196    2   2   0         4
                28.69        100.00        3.1112    1   2   1         8
                31.08         39.70        2.8771    3   1   0         4
                33.04          2.59        2.7109    1   3   0         4
                33.40         27.35        2.6824    2   2   1         8
                35.55         24.90        2.5254    1   0   2         4
                35.58          4.83        2.5235    3   1   1         8
                37.33          7.38        2.4091    1   3   1         8
                39.54         23.60        2.2794    2   0   2         4
                40.17          1.47        2.2449    3   2   1         8
                40.99          2.85        2.2019    2   1   2         8
                41.17          5.28        2.1928    2   3   1         8
                43.51          2.39        2.0798    3   3   0         4
                44.40          4.53        2.0401    4   1   1         8
                46.83          4.27        1.9400    3   1   2         8
                46.99         19.55        1.9338    3   3   1         8
                47.07          2.17        1.9305    2   4   0         4
                47.13         14.59        1.9285    1   4   1         8
                48.30          2.66        1.8843    4   2   1         8
                50.36          1.16        1.8120    2   4   1         8
                50.58          2.56        1.8045    3   2   2         8
                50.93          4.63        1.7931    5   1   0         4
                53.01          3.56        1.7274    4   0   2         4
                54.18          2.20        1.6929    4   1   2         8
                54.32          8.28        1.6887    4   3   1         8
                54.41          2.49        1.6862    1   1   3         8
                54.84          4.48        1.6740    1   5   0         4
                55.57          2.76        1.6537    0   4   2         4
                56.43          1.69        1.6306    3   3   2         8
                56.55          3.25        1.6274    1   4   2         8
                56.85         16.27        1.6196    0   2   3         4
                57.59          7.17        1.6006    4   2   2         8
                57.81          1.00        1.5950    1   5   1         8
                59.24          1.89        1.5598    4   4   0         4
                59.42          1.20        1.5556    2   4   2         8
                60.58          2.22        1.5285    6   0   0         2
                60.63          2.07        1.5272    2   5   1         8
                62.43          1.97        1.4875    3   5   0         4
                62.74          6.68        1.4810    5   1   2         8
                62.87         15.36        1.4782    5   3   1         8
                63.21          8.18        1.4710    1   3   3         8
                65.82          7.05        1.4188    0   6   0         2
                65.87          1.11        1.4180    5   2   2         8
                66.20          3.53        1.4117    1   5   2         8
                67.51          2.09        1.3875    6   2   1         8
                69.51          3.97        1.3523    0   4   3         4
                70.27          5.34        1.3396    3   3   3         8
                71.29          1.09        1.3228    4   2   3         8
                71.40          3.13        1.3211    6   0   2         4
                72.39          4.36        1.3055    6   1   2         8
                72.51         10.26        1.3036    6   3   1         8
                72.73          6.46        1.3002    1   0   4         4
                72.93          1.11        1.2971    2   4   3         8
                73.08          1.66        1.2949    7   1   0         4
                75.25          1.41        1.2627    2   0   4         4
                75.95          1.29        1.2529    5   1   3         8
                77.10          4.97        1.2370    1   6   2         8
                78.95          1.92        1.2126    4   5   2         8
                79.15          1.40        1.2101    1   5   3         8
                79.58          5.26        1.2045    2   6   2         8
                83.17          1.07        1.1615    7   1   2         8
                83.60          1.36        1.1567    5   3   3         8
                86.07          2.34        1.1296    4   1   4         8
                86.31          4.73        1.1272    5   5   2         8
                89.36          1.93        1.0964    4   6   2         8
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.