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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INSIZWAITE

3, syn, g-froodite

PtBi(2)


Cubic  P a3  Z = 4

Pa3

30 .8 .1907

Ref.Str.:

         Wallbaum H.J. (1943)

         * Z. Metallkunde, 35, 200-201

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   6.683    alpha =   90.0 
             b =   6.683    beta  =   90.0 
             c =   6.683    gamma =   90.0 

    Unit cell volume (cub. angs.) =   298.48

    Molar volume ( cub.cm/mol.) =    44.95

  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    Pt    = 1.00
   2 0.38    0.38    0.38     0.0    Bi    = 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     0.38       0.38       0.38  
     3       2     0.62       0.62       0.62  
     4       1     0.5        0.0        0.5   
     5       2     0.12       0.62       0.88  
     6       2     0.88       0.38       0.12  
     7       1     0.5        0.5        0.0   
     8       2     0.12       0.88       0.38  
     9       2     0.88       0.12       0.62  
    10       1     0.0        0.5        0.5   
    11       2     0.38       0.12       0.88  
    12       2     0.62       0.88       0.12  


X-ray density (g/cm cub.)   =     13.64

MU (1/cm) =    4480.036    Mass attenuation coefficient (cm**2/g) =    328.497

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

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

    1    Pt                  3.324        6
                                                 2.7813       2
                                                 2.7813       2
                                                 2.7813       2
                                                 2.7813       2
                                                 2.7813       2
                                                 2.7813       2
    2    Bi                  5.112       13
                                                 2.7781       2
                                                 4.0936       2
                                                 4.0936       2
                                                 3.7663       2
                                                 3.7663       2
                                                 3.7663       2
                                                 3.7663       2
                                                 4.0936       2
                                                 4.0936       2
                                                 3.7663       2
                                                 3.7663       2
                                                 4.0936       2
                                                 4.0936       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   1 13.404  26.808   0.13    34.37    8       52.1      836.7
    2   2   0   0 15.526  31.053   0.15    25.12    6      318.9    17199.5
    3   2   1   0 17.414  34.828   0.167   19.59   12      398.4    41864.7
    4   1   1   2 19.138  38.276   0.183   15.92   24      285.0    34840.5
    5   2   2   0 22.244  44.489   0.212   11.38   12      263.5    10642.7
    6   2   2   1 23.673  47.347   0.224    9.88   24       23.4      145.8
    7   1   1   3 26.353  52.706   0.248    7.74   24      429.6    38496.3
    8   2   2   2 27.622  55.244   0.259    6.96    8      246.6     3798.8
    9   2   3   0 28.853  57.707   0.27     6.3    12      398.0    13446.0
   10   1   2   3 30.052  60.104   0.28     5.75   24      222.7     7686.1
   11   3   2   1 30.052  60.104   0.28     5.75   24      286.7    12735.7
   12   4   0   0 32.369  64.737   0.299    4.88    6      261.5     2249.5
   13   2   2   3 33.493  66.987   0.308    4.54   24       23.9       69.8
   14   4   1   0 33.493  66.987   0.308    4.54   12       42.4      110.2
   15   1   1   4 34.6    69.199   0.317    4.24   24       30.6      107.2
   16   3   3   1 35.69   71.38    0.326    3.99   24       83.5      748.2
   17   2   4   0 36.767  73.533   0.335    3.76   12      194.8     1923.8
   18   4   2   0 36.767  73.533   0.335    3.76   12      194.8     1923.8
   19   1   2   4 37.831  75.662   0.343    3.57   24        2.6        0.6
   20   4   2   1 37.831  75.662   0.343    3.57   24      322.1     9984.6
   21   3   3   2 38.886  77.772   0.351    3.41   24      230.8     4885.9
   22   2   2   4 40.972  81.943   0.367    3.14   24      214.3     3887.9
   23   4   3   0 42.006  84.012   0.374    3.04   12       44.2       80.1
   24   1   3   4 43.036  86.072   0.381    2.95   24       32.0       81.3
   25   4   3   1 43.036  86.072   0.381    2.95   24       24.8       49.1
   26   1   1   5 44.064  88.128   0.389    2.88   24      404.1    12671.2
   27   3   3   3 44.064  88.128   0.389    2.88    8      327.1     2767.8
   28   2   3   4 46.117  92.234   0.403    2.78   24      338.0     8560.8
   29   2   5   0 46.117  92.234   0.403    2.78   12      259.9     2530.7
   30   4   3   2 46.117  92.234   0.403    2.78   24        2.7        0.5
   31   1   2   5 47.145  94.29    0.41     2.75   24      242.9     4374.4
   32   5   2   1 47.145  94.29    0.41     2.75   24      188.0     2618.5
   33   4   4   0 49.211  98.422   0.423    2.73   12      628.1    14492.7
   34   2   2   5 50.251 100.503   0.43     2.73   24       15.8       18.4
   35   4   4   1 50.251 100.503   0.43     2.73   24       36.6       98.4
   36   3   3   4 51.299 102.598   0.436    2.75   24       26.2       51.1
   37   1   3   5 52.355 104.711   0.443    2.78   24       38.4      110.6
   38   5   3   1 52.355 104.711   0.443    2.78   24       38.4      110.6
   39   4   4   2 53.422 106.844   0.449    2.82   24      222.1     3748.6
   40   6   0   0 53.422 106.844   0.449    2.82    6      117.4      261.7
   41   6   1   0 54.501 109.002   0.455    2.87   12      280.7     3048.9
   42   1   1   6 55.594 111.188   0.461    2.94   24      203.2     3269.3
   43   2   3   5 55.594 111.188   0.461    2.94   24      155.0     1902.5
   44   5   3   2 55.594 111.188   0.461    2.94   24      257.9     5266.3
   45   2   6   0 57.831 115.663   0.473    3.11   12      186.0     1450.0
   46   6   2   0 57.831 115.663   0.473    3.11   12      186.0     1450.0
   47   1   2   6 58.982 117.963   0.479    3.22   24       17.2       25.6
   48   4   4   3 58.982 117.963   0.479    3.22   24       38.9      131.6
   49   4   5   0 58.982 117.963   0.479    3.22   12       29.9       38.9
   50   6   2   1 58.982 117.963   0.479    3.22   24       52.0      235.0


  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   1  13.404  26.808  3.85843      836.7      2.0      2.0     5.6
    2   2   0   0  15.526  31.053  3.3415     17199.5     41.1     41.2     5.6
    3   2   1   0  17.414  34.828  2.98873    41864.7    100.0    100.0     5.7
    4   1   1   2  19.138  38.276  2.72832    34840.5     83.2     83.0     5.7
    5   2   2   0  22.244  44.489  2.3628     10642.7     25.4     25.2     5.7
    6   1   1   3  26.353  52.706  2.015      38496.3     92.0     90.2     5.8
    7   2   2   2  27.622  55.244  1.92922     3798.8      9.1      8.9     5.8
    8   2   3   0  28.853  57.707  1.85353    13446.0     32.1     31.3     5.8
    9   3   2   1  30.052  60.104  1.78611    20421.9     48.8     47.4     5.8
   10   4   0   0  32.369  64.737  1.67075     2249.5      5.4      5.2     5.9
   11   3   3   1  35.69   71.38   1.53319      748.2      1.8      1.7     5.9
   12   2   4   0  36.767  73.533  1.49436     3847.7      9.2      8.7     6.0
   13   4   2   1  37.831  75.662  1.45835     9984.6     23.8     22.5     6.0
   14   3   3   2  38.886  77.772  1.42482     4885.9     11.7     11.0     6.0
   15   2   2   4  40.972  81.943  1.36416     3887.9      9.3      8.7     6.1
   16   1   1   5  44.064  88.128  1.28614    15439.0     36.9     33.8     6.2
   17   2   3   4  46.117  92.234  1.241      11092.0     26.5     24.0     6.2
   18   1   2   5  47.145  94.29   1.22014     6992.9     16.7     15.0     6.3
   19   4   4   0  49.211  98.422  1.1814     14492.7     34.6     30.8     6.4
   20   4   4   2  53.422 106.844  1.11383     4010.3      9.6      8.2     6.6
   21   6   1   0  54.501 109.002  1.09868     3048.9      7.3      6.2     6.7
   22   5   3   2  55.594 111.188  1.08413    10438.1     24.9     21.0     6.7
   23   2   6   0  57.831 115.663  1.05668     2900.0      6.9      5.7     6.9
   24   6   2   1  58.982 117.963  1.04371      431.0      1.0      0.8     7.0

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)