Nevskite
      Gaudin E, Jobic S, Evain M, Brec R, Rouxel J
      Materials Research Bulletin 30 (1995) 549-561
      Charge balance in some BixSey phases through atomic structure determination
      and band structure calculations
      Locality: synthetic
      _database_code_amcsd 0014372

      CELL PARAMETERS:    4.2120   4.2120  22.9420   90.000   90.000  120.000
      SPACE GROUP: P-3m1     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    352.483
      Density (g/cm3):      8.162
      MAX. ABS. INTENSITY / VOLUME**2:      472.1329440    
      RIR:     18.835
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                19.34         11.35        4.5884    0   0   5         2
                24.71         11.91        3.6024    0   1   1         6
                27.08          5.71        3.2923    0   1   3         6
                27.21          1.23        3.2774    0   0   7         2
                29.01         99.88        3.0779    1   0   4         6
                39.99         35.72        2.2545    0   1   8         6
                42.95         33.52        2.1060    1   1   0         6
                43.30          1.36        2.0895    0   1   9         6
                43.30          5.66        2.0895    1   0   9         6
                47.50          6.02        1.9140    1   1   5        12
                47.56          5.77        1.9118    0   0  12         2
                50.18          1.63        1.8181    2   0   1         6
                51.59          1.26        1.7717    1   1   7        12
                52.66         16.69        1.7381    0   2   4         6
                58.06          2.69        1.5886    0   1  13         6
                60.12          9.47        1.5390    2   0   8         6
                62.63          1.65        1.4833    0   2   9         6
                66.00         11.41        1.4155    1   1  12        12
                68.14          1.15        1.3762    1   2   1        12
                69.49          1.15        1.3526    1   1  13        12
                70.21         12.35        1.3405    2   1   4        12
                70.58          3.56        1.3345    1   0  16         6
                74.87          1.10        1.2683    2   0  13         6
                76.69          8.18        1.2426    1   2   8        12
                78.70          4.37        1.2159    3   0   0         6
                78.95          1.48        1.2127    2   1   9        12
                85.45          1.59        1.1363    1   1  17        12
                86.30          1.88        1.1272    0   2  16         6
                89.58          1.31        1.0943    0   1  20         6
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.