Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

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ANTIMONY

1, f-arsenic, g-arsenic

Sb


Hexagonal  R 3(-)m  Z = 6

R3(-)m

8 .6 .1992

Ref.Str.:

         Wyckoff R.W.G. (1963)

         * Crystal Structures, 1, 30-32

         R: ATOMIC. N.A.D.

                   Initial data from BDM-file 

   Lattice parameters (cub. angs.,degr.):

             a =   4.3083   alpha =   90.0 
             b =   4.3083   beta  =   90.0 
             c =  11.2743   gamma =  120.0 

    Unit cell volume (cub. angs.) =   181.23

    Molar volume ( cub.cm/mol.) =    18.19

  Co-ordinates, thermal parameters, occupation for atomic positions:

NoP   x/a     y/b     z/c    B(j)   atom  / occupation

   1 0.0     0.0     0.233    0.0    Sb    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.233 
     2       1     0.6667     0.3333     0.5663
     3       1     0.3333     0.6667     0.8997
     4       1     0.0        0.0        0.767 
     5       1     0.3333     0.6667     0.4337
     6       1     0.6667     0.3333     0.1003


X-ray density (g/cm cub.)   =      6.69

MU (1/cm) =    1806.592    Mass attenuation coefficient (cm**2/g) =    270.0  

 Selected interatomic distances (cation-anion,anion-anion):

 NoP    Atom              Rad.sph.      C.N.    Distance     NoP N.
                           (angs.)               (angs.)

    1    Sb                  4.992       18
                                                 4.3083       1
                                                 4.3083       1
                                                 4.3083       1
                                                 4.3083       1
                                                 4.3083       1
                                                 4.3083       1
                                                 4.5067       1
                                                 4.5067       1
                                                 4.5067       1
                                                 4.5068       1
                                                 4.5068       1
                                                 4.5068       1
                                                 3.3624       1
                                                 3.3624       1
                                                 3.3624       1
                                                 2.9024       1
                                                 2.9024       1
                                                 2.9024       1

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.54056(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   0   0   3 11.827  23.655   0.133   44.72    2       84.9     1963.8
    2   1   0   1 12.56   25.12    0.141   39.43    6       28.4      581.4
    3   1   0  -2 14.334  28.668   0.161   29.8     6      253.0    34859.7
    4   1   0   4 20.029  40.059   0.222   14.39    6      215.4    12191.3
    5   1   1   0 20.952  41.903   0.232   13.01    6      233.3    12940.6
    6   1   0  -5 23.525  47.05    0.259   10.02    6      114.2     2389.7
    7   0   0   6 24.2    48.401   0.266    9.4     2      178.0     1814.3
    8   1   1   3 24.34   48.681   0.268    9.28   12       69.8     1653.6
    9   2   0  -1 24.741  49.481   0.272    8.94    6       23.5       90.1
   10   2   0   2 25.78   51.56    0.282    8.14    6      212.1     6687.3
   11   2   0  -4 29.679  59.359   0.321    5.91    6      186.7     3765.8
   12   1   0   7 31.393  62.787   0.338    5.22    6      136.2     1769.1
   13   2   0   5 32.404  64.809   0.348    4.87    6      100.6      900.0
   14   1   1   6 32.954  65.909   0.353    4.7    12      157.1     4237.3
   15   2   1   1 33.399  66.798   0.357    4.57   12       20.8       72.1
   16   2   1  -2 34.267  68.533   0.365    4.33   12      188.2     5601.5
   17   1   0  -8 35.751  71.502   0.379    3.97    6      124.0     1115.4
   18   2   1   4 37.645  75.29    0.396    3.6    12      167.7     3702.8
   19   0   0   9 37.944  75.889   0.399    3.55    2      150.5      490.3
   20   3   0   0 38.268  76.537   0.402    3.5     6      182.8     2137.3
   21   2   0  -7 39.185  78.371   0.41     3.36    6      122.9      928.0
   22   2   1  -5 40.109  80.217   0.418    3.24   12       91.0      979.9
   23   3   0  -3 40.721  81.443   0.423    3.17    6       55.9      180.7
   24   3   0   3 40.721  81.443   0.423    3.17    6       55.9      180.8
   25   2   0   8 43.236  86.471   0.445    2.94    6      113.0      685.3


  X-ray diffraction powder data (I)...X-Ray wave length =  1.54056 (angs.):

  No   H   K   L   Theta 2*Theta    d           I int   I int.n.  I p.h.n.   H(Si)
                    ( degree )   (angstrem)     *100                         *100

    1   0   0   3  11.827  23.655  3.7581      1963.8      5.6      5.7     5.6
    2   1   0   1  12.56   25.12   3.54217      581.4      1.7      1.7     5.6
    3   1   0   2  14.334  28.668  3.11132    34859.7    100.0    100.0     5.6
    4   1   0   4  20.029  40.059  2.24899    12191.3     35.0     34.6     5.7
    5   1   1   0  20.952  41.903  2.15415    12940.6     37.1     36.7     5.7
    6   1   0   5  23.525  47.05   1.92982     2389.7      6.9      6.7     5.7
    7   0   0   6  24.2    48.401  1.87905     1814.3      5.2      5.1     5.7
    8   1   1   3  24.34   48.681  1.8689      1653.6      4.7      4.7     5.7
    9   2   0   2  25.78   51.56   1.77108     6687.3     19.2     18.7     5.8
   10   2   0   4  29.679  59.359  1.55566     3765.8     10.8     10.4     5.8
   11   1   0   7  31.393  62.787  1.47872     1769.1      5.1      4.9     5.9
   12   2   0   5  32.404  64.809  1.43738      900.0      2.6      2.5     5.9
   13   1   1   6  32.954  65.909  1.41603     4237.3     12.2     11.6     5.9
   14   2   1   2  34.267  68.533  1.36806     5601.5     16.1     15.3     5.9
   15   1   0   8  35.751  71.502  1.31838     1115.4      3.2      3.0     5.9
   16   2   1   4  37.645  75.29   1.26117     3702.8     10.6     10.0     6.0
   17   0   0   9  37.944  75.889  1.2527       490.3      1.4      1.3     6.0
   18   3   0   0  38.268  76.537  1.2437      2137.3      6.1      5.8     6.0
   19   2   0   7  39.185  78.371  1.21913      928.0      2.7      2.5     6.0
   20   2   1   5  40.109  80.217  1.19564      979.9      2.8      2.6     6.0
   21   3   0   3  40.721  81.443  1.18072      361.5      1.0      1.0     6.1
   22   2   0   8  43.236  86.471  1.12449      685.3      2.0      1.8     6.1

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)