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

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LUTETIUM

1, at 20'C

Lu


Hexagonal  P 6(3)/mmc  Z = 2

P6(3)/mmc

9 .7 .1992

Ref.Str.:

         Wyckoff R.W.G. (1963)

         * Crystal Structures, 1, 9-11

         R: ATOMIC. N.A.D.

                   Initial data from BDM-file 

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

             a =   3.5031   alpha =   90.0 
             b =   3.5031   beta  =   90.0 
             c =   5.5509   gamma =  120.0 

    Unit cell volume (cub. angs.) =    58.99

    Molar volume ( cub.cm/mol.) =    17.77

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

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

   1 0.3333  0.6667  0.25     0.0    Lu    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3333     0.6667     0.25  
     2       1     0.6667     0.3333     0.75  


X-ray density (g/cm cub.)   =      9.85

MU (1/cm) =    1496.739    Mass attenuation coefficient (cm**2/g) =    152.0  

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

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

    1    Lu                  4.176       12
                                                 3.5031       1
                                                 3.5031       1
                                                 3.5031       1
                                                 3.5031       1
                                                 3.5031       1
                                                 3.5031       1
                                                 3.4342       1
                                                 3.4342       1
                                                 3.4342       1
                                                 3.4342       1
                                                 3.4342       1
                                                 3.4342       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   1   0   0 14.709  29.417   0.165   28.21    6       55.3    14897.3
    2   0   0   2 16.113  32.226   0.18    23.18    2      108.6    15727.1
    3   1   0   1 16.819  33.638   0.188   21.13   12       93.2    63280.7
    4   1   0   2 22.096  44.191   0.244   11.55   12       50.0     9962.7
    5   1   1   0 26.089  52.178   0.285    7.92    6       94.4    12180.2
    6   1   0   3 29.184  58.368   0.317    6.14   12       78.2    12940.8
    7   2   0   0 30.518  61.035   0.33     5.56    6       44.3     1877.3
    8   1   1   2 31.334  62.667   0.338    5.24   12       87.5    13833.5
    9   2   0   1 31.764  63.528   0.342    5.09   12       75.3     9944.5
   10   0   0   4 33.715  67.431   0.36     4.48    2       84.5     1839.1
   11   2   0   2 35.359  70.718   0.376    4.06   12       41.3     2389.6
   12   1   0   4 37.617  75.234   0.396    3.61   12       40.0     1995.4
   13   2   0   3 41.044  82.088   0.426    3.13   12       66.3     4748.7
   14   2   1   0 42.203  84.406   0.436    3.02   12       37.7     1481.3
   15   2   1   1 43.31   86.62    0.445    2.93   24       64.4     8392.3


  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   1   0   0  14.709  29.417  3.03377    14897.3     23.5     23.6     5.6
    2   0   0   2  16.113  32.226  2.77545    15727.1     24.9     24.9     5.6
    3   1   0   1  16.819  33.638  2.66212    63280.7    100.0    100.0     5.7
    4   1   0   2  22.096  44.191  2.04779     9962.7     15.7     15.6     5.7
    5   1   1   0  26.089  52.178  1.75155    12180.2     19.2     18.9     5.8
    6   1   0   3  29.184  58.368  1.57968    12940.8     20.4     19.9     5.8
    7   2   0   0  30.518  61.035  1.51689     1877.3      3.0      2.9     5.8
    8   1   1   2  31.334  62.667  1.48125    13833.5     21.9     21.1     5.8
    9   2   0   1  31.764  63.528  1.46324     9944.5     15.7     15.2     5.9
   10   0   0   4  33.715  67.431  1.38772     1839.1      2.9      2.8     5.9
   11   2   0   2  35.359  70.718  1.33106     2389.6      3.8      3.6     5.9
   12   1   0   4  37.617  75.234  1.26197     1995.4      3.2      3.0     6.0
   13   2   0   3  41.044  82.088  1.17307     4748.7      7.5      7.0     6.1
   14   2   1   0  42.203  84.406  1.14666     1481.3      2.3      2.2     6.1
   15   2   1   1  43.31   86.62   1.12295     8392.3     13.3     12.2     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)