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

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          ***      W W W - X R A Y P O L       ***
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ROSIAITE

1

PbSb(2)O(6)


Hexagonal  P 3(-)1m  Z = 1

R =0.033          NR =1508

15 .12 .1997

Ref.Str.:

         Basso R., Luchetti G., Zefiro L., Palenzona A. (1996)

         * Eur. J. Mineral., 8, 487-492

Reserv:

         D.T.N.

                   Initial data from BDM-file 

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

             a =   5.295    alpha =   90.0 
             b =   5.295    beta  =   90.0 
             c =   5.372    gamma =  120.0 

    Unit cell volume (cub. angs.) =   130.44

    Molar volume ( cub.cm/mol.) =    78.57

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

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

   1 0.0     0.0     0.0      1.33   Pb    = 1.00
   2 0.3333  0.6667  0.5      0.95   Sb    = 1.00
   3 0.377   0.0     0.2965   1.36   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.0   
     2       2     0.3333     0.6667     0.5   
     3       3     0.377      0.0        0.2965
     4       3     0.0        0.377      0.2965
     5       3     0.623      0.623      0.2965
     6       2     0.6667     0.3333     0.5   
     7       3     0.623      0.0        0.7035
     8       3     0.0        0.623      0.7035
     9       3     0.377      0.377      0.7035


X-ray density (g/cm cub.)   =      6.96

MU (1/cm) =    1462.522    Mass attenuation coefficient (cm**2/g) =    210.208

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

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

    1    Pb                  3.144        6
                                                 2.5538       3
                                                 2.5538       3
                                                 2.5538       3
                                                 2.5538       3
                                                 2.5538       3
                                                 2.5538       3
    2    Sb                  2.712        6
                                                 1.9887       3
                                                 1.9889       3
                                                 1.9892       3
                                                 1.9889       3
                                                 1.9887       3
                                                 1.9891       3
    3    O                   3.264        7
                                                 2.8778       3
                                                 2.8778       3
                                                 2.8778       3
                                                 2.8778       3
                                                 2.545        3
                                                 2.9606       3
                                                 2.9606       3

  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   1  8.244  16.488   0.093   94.33    2       34.2     1294.8
    2   1   0   0  9.67   19.341   0.109   67.96    6       19.1      871.3
    3   1   0   1 12.759  25.518   0.143   38.14   12      112.6    34079.3
    4   0   0   2 16.665  33.33    0.186   21.55    2      115.2     3359.7
    5   1   1   0 16.915  33.829   0.189   20.87    6      127.0    11861.4
    6   1   1  -1 18.927  37.854   0.211   16.31    6       11.2       72.4
    7   1   1   1 18.927  37.854   0.211   16.31    6       36.3      756.6
    8   1   0   2 19.412  38.823   0.216   15.43   12       25.2      692.1
    9   2   0   0 19.631  39.261   0.218   15.05    6       32.0      543.5
   10   2   0   1 21.425  42.849   0.237   12.38   12       91.1     7246.1
   11   1   1  -2 24.112  48.224   0.265    9.48    6      122.4     5006.2
   12   1   1   2 24.112  48.224   0.265    9.48    6      144.6     6991.0
   13   0   0   3 25.478  50.956   0.279    8.36    2        3.7        1.3
   14   2   0   2 26.213  52.426   0.287    7.84   12       11.9       78.9
   15   2   1   0 26.387  52.773   0.288    7.72   12       18.6      188.3
   16   1   0   3 27.503  55.006   0.3      7.03   12       80.5     3213.8
   17   2   1  -1 27.839  55.678   0.303    6.83   12       75.2     2729.6
   18   2   1   1 27.839  55.678   0.303    6.83   12       89.6     3868.8
   19   3   0   0 30.261  60.521   0.327    5.66    6      124.5     3096.5
   20   1   1  -3 31.286  62.573   0.337    5.26    6       29.8      164.7
   21   1   1   3 31.286  62.573   0.337    5.26    6       10.4       20.2
   22   3   0   1 31.597  63.193   0.34     5.15   12       17.5      110.9
   23   2   1  -2 31.933  63.865   0.343    5.03   12       20.0      142.4
   24   2   1   2 31.933  63.865   0.343    5.03   12       13.0       60.0
   25   2   0   3 33.08   66.16    0.354    4.66   12       78.7     2035.9
   26   0   0   4 34.998  69.997   0.372    4.15    2      105.3      540.8
   27   3   0   2 35.438  70.876   0.376    4.04   12       87.4     2178.2
   28   2   2   0 35.584  71.167   0.378    4.01    6       92.6     1213.7
   29   1   0   4 36.701  73.403   0.388    3.78   12       13.8       51.1
   30   2   2  -1 36.82   73.639   0.389    3.75    6       20.4       55.1
   31   2   2   1 36.82   73.639   0.389    3.75    6        1.2        0.2
   32   3   1   0 37.276  74.552   0.393    3.67   12        9.3       22.2
   33   2   1  -3 38.208  76.415   0.401    3.51   12       69.7     1203.1
   34   2   1   3 38.208  76.415   0.401    3.51   12       63.2      989.8
   35   3   1  -1 38.491  76.982   0.404    3.47   12       74.5     1355.7
   36   3   1   1 38.491  76.982   0.404    3.47   12       60.7      901.4
   37   1   1  -4 40.025  80.051   0.417    3.25    6       97.0     1078.8
   38   1   1   4 40.025  80.051   0.417    3.25    6       76.7      674.7
   39   2   2  -2 40.445  80.89    0.421    3.2     6       97.1     1064.5
   40   2   2   2 40.445  80.89    0.421    3.2     6       87.4      861.4
   41   3   0   3 41.496  82.991   0.43     3.09   12        3.5        2.6
   42   2   0   4 41.659  83.319   0.431    3.07   12       14.9       47.8
   43   3   1  -2 42.076  84.152   0.435    3.03   12       13.1       36.9
   44   3   1   2 42.076  84.152   0.435    3.03   12       20.2       87.0
   45   4   0   0 42.215  84.43    0.436    3.02    6        8.7        8.0
   46   4   0   1 43.396  86.793   0.446    2.92   12       61.1      771.1


  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   1   8.244  16.488  5.372       1294.8      3.8      3.8     5.6
    2   1   0   0   9.67   19.341  4.5856       871.3      2.6      2.6     5.6
    3   1   0   1  12.759  25.518  3.48773    34079.3    100.0    100.0     5.6
    4   0   0   2  16.665  33.33   2.686       3359.7      9.9      9.8     5.7
    5   1   1   0  16.915  33.829  2.6475     11861.4     34.8     34.6     5.7
    6   1   1   1  18.927  37.854  2.37476      829.0      2.4      2.4     5.7
    7   1   0   2  19.412  38.823  2.31767      692.1      2.0      2.0     5.7
    8   2   0   0  19.631  39.261  2.2928       543.5      1.6      1.6     5.7
    9   2   0   1  21.425  42.849  2.10876     7246.1     21.3     20.9     5.7
   10   1   1   2  24.112  48.224  1.88553    11997.3     35.2     34.5     5.7
   11   1   0   3  27.503  55.006  1.668       3213.8      9.4      9.2     5.8
   12   2   1   1  27.839  55.678  1.64947     6598.4     19.4     18.8     5.8
   13   3   0   0  30.261  60.521  1.52853     3096.5      9.1      8.7     5.8
   14   2   0   3  33.08   66.16   1.41126     2035.9      6.0      5.7     5.9
   15   0   0   4  34.998  69.997  1.343        540.8      1.6      1.5     5.9
   16   3   0   2  35.438  70.876  1.32849     2178.2      6.4      6.0     5.9
   17   2   2   0  35.584  71.167  1.32375     1213.7      3.6      3.4     5.9
   18   2   1   3  38.208  76.415  1.24538     2192.9      6.4      6.0     6.0
   19   3   1   1  38.491  76.982  1.23761     2257.0      6.6      6.2     6.0
   20   1   1   4  40.025  80.051  1.19771     1753.5      5.1      4.8     6.0
   21   2   2   2  40.445  80.89   1.18738     1925.9      5.7      5.2     6.1
   22   4   0   1  43.396  86.793  1.12116      771.1      2.3      2.1     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)