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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ARGUTITE

3, t-rutile, syn, at 0.001 GPa, g-stishovite

GeO(2)


Tetragonal  P 4(2)/mnm  Z = 2

P4(2)/mnm

13 .12 .1906

Ref.Str.:

         Haines J., Leger J.M., Chateau C., Pereira A.S. (2000)

         * Phys. Chem. Minerals, 27, 575-582

Reserv:

         In the original there are all structure data at pressures from 0.001 GPa

         upto 36 GPa.  N.A.D.

                   Initial data from BDM-file 

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

             a =   4.3966   alpha =   90.0 
             b =   4.3966   beta  =   90.0 
             c =   2.8626   gamma =   90.0 

    Unit cell volume (cub. angs.) =    55.33

    Molar volume ( cub.cm/mol.) =    16.66

  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      0.0    Ge    = 1.00
   2 0.3063  0.3063  0.0      0.0    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     0.3063     0.3063     0.0   
     3       2     0.6937     0.6937     0.0   
     4       1     0.5        0.5        0.5   
     5       2     0.1937     0.8063     0.5   
     6       2     0.8063     0.1937     0.5   


X-ray density (g/cm cub.)   =      6.28

MU (1/cm) =      34.173    Mass attenuation coefficient (cm**2/g) =      5.446

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

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

    1    Ge                  2.412        6
                                                 1.9045       2
                                                 1.9045       2
                                                 1.8706       2
                                                 1.8706       2
                                                 1.8706       2
                                                 1.8706       2
    2    O                   3.264       13
                                                 2.8626       2
                                                 2.8626       2
                                                 2.4087       2
                                                 3.1867       2
                                                 3.1867       2
                                                 2.6695       2
                                                 2.6695       2
                                                 2.6695       2
                                                 2.6695       2
                                                 2.6695       2
                                                 2.6695       2
                                                 2.6695       2
                                                 2.6695       2

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

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

    1   1   1   0 16.721  33.442   0.161   21.4     4       57.1     9121.8
    2   1   0   1 21.892  43.784   0.208   11.79    8       42.9     5667.2
    3   2   0   0 24.009  48.019   0.227    9.57    4       33.4     1397.2
    4   1   1   1 25.135  50.27    0.237    8.62    8       17.6      699.4
    5   2   1   0 27.059  54.119   0.254    7.29    8       11.6      254.7
    6   2   1   1 33.497  66.993   0.309    4.54   16       48.0     5453.8
    7   2   2   0 35.129  70.259   0.322    4.11    4       51.7     1438.7
    8   0   0   2 38.677  77.354   0.349    3.44    2       55.2      683.3
    9   3   1   0 40.042  80.083   0.36     3.25    8       36.4     1127.7
   10   2   2   1 40.904  81.807   0.366    3.15    8        5.6       25.9
   11   3   0   1 43.288  86.576   0.383    2.93    8       50.1     1923.7
   12   1   1   2 43.47   86.941   0.385    2.92    8       40.5     1252.4


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (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   1   0  16.721  33.442  3.10887     9121.8    100.0    100.0     5.7
    2   1   0   1  21.892  43.784  2.39893     5667.2     62.1     61.5     5.7
    3   2   0   0  24.009  48.019  2.1983      1397.2     15.3     15.1     5.7
    4   1   1   1  25.135  50.27   2.10585      699.4      7.7      7.5     5.8
    5   2   1   0  27.059  54.119  1.96622      254.7      2.8      2.7     5.8
    6   2   1   1  33.497  66.993  1.62073     5453.8     59.8     57.4     5.9
    7   2   2   0  35.129  70.259  1.55443     1438.7     15.8     15.0     5.9
    8   0   0   2  38.677  77.354  1.4313       683.3      7.5      7.0     6.0
    9   3   1   0  40.042  80.083  1.39033     1127.7     12.4     11.6     6.0
   10   3   0   1  43.288  86.576  1.30451     1923.7     21.1     19.4     6.1
   11   1   1   2  43.47   86.941  1.30013     1252.4     13.7     12.6     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)