Antimonselite
      Caracas R, Gonze X
      Physics and Chemistry of Minerals 32 (2005) 295-300
      First-principles study of the electronic properties of A2B3 minerals,
      with A=Bi,Sb and B=S,Se
      Note: Hypothetical sulphosalt structure derived from density functional theory
      _database_code_amcsd 0008967

      CELL PARAMETERS:   11.7940   3.9860  11.6480   90.000   90.000   90.000
      SPACE GROUP: Pnma      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    547.583
      Density (g/cm3):      5.826
      MAX. ABS. INTENSITY / VOLUME**2:      59.34314682    
      RIR:      3.316
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                10.67          5.98        8.2875    1   0   1         4
                15.02         13.53        5.8970    2   0   0         2
                15.21          3.80        5.8240    0   0   2         2
                16.85         42.21        5.2612    2   0   1         4
                21.44          4.94        4.1438    2   0   2         4
                23.59          9.78        3.7713    0   1   1         4
                23.89         16.12        3.7249    3   0   1         4
                24.13         10.13        3.6880    1   0   3         4
                27.00          6.72        3.3024    2   1   0         4
                27.37         46.13        3.2584    3   0   2         4
                27.50         12.66        3.2429    2   0   3         4
                28.16         72.26        3.1684    1   1   2         8
                31.13        100.00        2.8727    2   1   2         8
                31.29          3.89        2.8583    4   0   1         4
                32.18         63.62        2.7813    0   1   3         4
                32.41          3.37        2.7625    3   0   3         4
                33.09         20.07        2.7070    1   1   3         8
                34.08         46.57        2.6306    4   0   2         4
                34.35         15.06        2.6110    2   0   4         4
                35.59         30.03        2.5228    3   1   2         8
                37.96         17.50        2.3705    4   1   0         4
                38.33          3.59        2.3482    4   0   3         4
                38.47          7.27        2.3400    3   0   4         4
                38.77         29.90        2.3228    4   1   1         8
                39.06          9.47        2.3060    1   1   4         8
                39.43          2.82        2.2854    1   0   5         4
                39.70          4.14        2.2705    3   1   3         8
                41.11          3.54        2.1956    4   1   2         8
                41.29         11.31        2.1863    5   0   2         4
                41.34         17.61        2.1841    2   1   4         8
                41.69         16.00        2.1667    2   0   5         4
                43.69          4.82        2.0719    4   0   4         4
                44.80          6.16        2.0232    4   1   3         8
                44.92         23.56        2.0180    3   1   4         8
                45.08         19.63        2.0113    0   1   5         4
                45.25         12.30        2.0042    3   0   5         4
                45.35          4.15        1.9998    5   1   1         8
                45.51         40.07        1.9930    0   2   0         2
                46.18          1.60        1.9657    6   0   0         2
                46.80          2.98        1.9413    0   0   6         2
                46.87          1.60        1.9383    6   0   1         4
                47.46          5.53        1.9156    1   0   6         4
                48.20          1.19        1.8881    2   2   0         4
                48.87          4.65        1.8638    2   2   1         8
                48.90          1.57        1.8624    6   0   2         4
                49.43          1.77        1.8440    2   0   6         4
                49.59          3.81        1.8384    4   1   4         8
                50.75          1.86        1.7989    5   1   3         8
                51.00         13.64        1.7906    3   1   5         8
                51.86         40.07        1.7630    6   1   0         4
                52.04          3.27        1.7573    3   2   1         8
                52.16         10.99        1.7537    6   0   3         4
                52.17          2.05        1.7534    1   2   3         8
                53.93         12.45        1.7002    3   2   2         8
                54.00          3.37        1.6980    2   2   3         8
                54.86          3.68        1.6736    2   1   6         8
                55.29          4.86        1.6615    4   1   5         8
                56.27          1.38        1.6348    4   2   1         8
                56.78          3.45        1.6214    4   0   6         4
                56.89          2.08        1.6185    7   0   2         4
                56.98          1.20        1.6163    3   2   3         8
                57.55         11.25        1.6015    2   0   7         4
                58.06         17.70        1.5886    4   2   2         8
                58.24          5.83        1.5842    2   2   4         8
                59.84          5.26        1.5456    7   0   3         4
                60.15          1.86        1.5383    7   1   1         8
                60.83          1.14        1.5227    1   1   7         8
                60.98          1.62        1.5195    4   2   3         8
                61.07          3.26        1.5173    3   2   4         8
                61.75          4.68        1.5023    6   0   5         4
                61.76          1.32        1.5021    1   2   5         8
                62.50          3.67        1.4860    2   1   7         8
                63.12          5.60        1.4729    5   2   2         8
                63.41          8.26        1.4668    2   2   5         8
                63.83          3.59        1.4583    7   0   4         4
                63.94          2.38        1.4560    0   0   8         2
                64.92          2.59        1.4363    4   2   4         8
                65.29          1.54        1.4292    8   0   2         4
                66.12          7.05        1.4132    3   2   5         8
                66.51          4.96        1.4058    6   1   5         8
                67.33          1.75        1.3906    0   2   6         4
                67.86          3.35        1.3811    1   2   6         8
                68.95         13.94        1.3619    4   1   7         8
                69.08          1.10        1.3597    5   0   7         4
                69.15          3.73        1.3585    1   1   8         8
                69.44          1.08        1.3535    2   2   6         8
                69.93          2.09        1.3453    8   1   2         8
                70.71          1.90        1.3323    2   1   8         8
                71.68          7.70        1.3166    6   2   3         8
                72.41          2.16        1.3051    6   1   6         8
                72.60          1.03        1.3022    9   0   1         4
                73.29          1.68        1.2916    7   1   5         8
                73.55          3.58        1.2876    1   3   2         8
                73.63          1.94        1.2865    1   0   9         4
                74.17          1.06        1.2785    9   0   2         4
                75.08          6.24        1.2652    2   3   2         8
                75.60          2.65        1.2578    4   2   6         8
                75.65          4.35        1.2571    0   3   3         4
                75.70          1.58        1.2564    7   2   2         8
                76.15          1.44        1.2500    1   3   3         8
                76.22          3.05        1.2491    8   1   4         8
                76.27          8.79        1.2484    2   2   7         8
                76.96          1.96        1.2390    5   0   8         4
                77.04          1.11        1.2378    9   1   1         8
                77.55          4.72        1.2310    0   1   9         4
                77.60          2.57        1.2303    3   3   2         8
                78.28          4.32        1.2214    7   2   3         8
                78.58          4.53        1.2174    9   1   2         8
                78.98          4.15        1.2122    7   1   6         8
                79.05          1.59        1.2114    4   3   0         4
                79.56          2.91        1.2049    4   3   1         8
                79.97          3.95        1.1997    6   2   5         8
                80.35          1.41        1.1950    9   0   4         4
                80.84          3.69        1.1890    8   1   5         8
                81.13          1.03        1.1855    9   1   3         8
                81.24          1.96        1.1842    2   3   4         8
                81.64          1.06        1.1794   10   0   0         2
                81.84          3.19        1.1769    7   2   4         8
                81.95          2.12        1.1757    0   2   8         4
                82.14          2.08        1.1734   10   0   1         4
                83.18          1.45        1.1614    8   2   2         8
                83.71          2.95        1.1554    3   3   4         8
                83.82          2.52        1.1541    0   3   5         4
                86.45          1.05        1.1256   10   1   1         8
                86.68          1.12        1.1232    5   2   7         8
                86.74          3.02        1.1226    6   1   8         8
                87.96          2.98        1.1102   10   1   2         8
                88.24          2.43        1.1074    3   3   5         8
                88.63          1.42        1.1035    8   0   7         4
                88.91          7.29        1.1008    6   3   0         4
                89.14          2.70        1.0985    2   1  10         8
                89.20          2.09        1.0980    9   1   5         8
                89.22          1.00        1.0978    8   2   4         8
                89.89          1.36        1.0913    5   1   9         8
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.