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

                            ***

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

5, t-tennantite-tetrahedrite, Ag, f-fahlores, sf-proper-fahlores, s-fahlores

Cu(4.42)Fe(1.41)Zn(0.62)Ag(6.07)Sb(4))S(12.42)


Cubic  I 4(-)3m  Z = 2

R =0.03          NR =440

29 .5 .1903

Ref.Str.:

         Rozhdestvenskaya I.V., Zayakina N.V., Samusikov V.P. (1993)

         * Mineral. Zh., v15, 2, 9-17

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =  10.492    alpha =   90.0 
             b =  10.492    beta  =   90.0 
             c =  10.492    gamma =   90.0 

    Unit cell volume (cub. angs.) =  1154.98

    Molar volume ( cub.cm/mol.) =   347.84

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

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

   1 0.25    0.5     0.0      1.36   Cu    = 0.68, Zn    = 0.23, Fe    = 0.15
   2 0.1919  0.0     0.0      2.16   Cu    = 0.39, Ag    = 0.61
   3 0.27    0.27    0.27     0.88   Sb    = 0.99, As    = 0.01
   4 0.1202  0.1202  0.3654   0.9    S     = 1.00
   5 0.0     0.0     0.0      0.9    S     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.25       0.5        0.0   
     2       2     0.1919     0.0        0.0   
     3       3     0.27       0.27       0.27  
     4       4     0.1202     0.1202     0.3654
     5       5     0.0        0.0        0.0   
     6       1     0.25       0.0        0.5   
     7       2     0.3081     0.5        0.5   
     8       3     0.23       0.23       0.77  
     9       4     0.3798     0.3798     0.8654
    10       5     0.5        0.5        0.5   
    11       1     0.5        0.75       0.0   
    12       1     0.75       0.5        0.0   
    13       1     0.5        0.25       0.0   
    14       2     0.0        0.8081     0.0   
    15       2     0.8081     0.0        0.0   
    16       2     0.0        0.1919     0.0   
    17       3     0.27       0.73       0.73  
    18       3     0.73       0.73       0.27  
    19       3     0.73       0.27       0.73  
    20       4     0.1202     0.8798     0.6346
    21       4     0.8798     0.8798     0.3654
    22       4     0.8798     0.1202     0.6346
    23       1     0.0        0.75       0.5   
    24       1     0.75       0.0        0.5   
    25       1     0.0        0.25       0.5   
    26       2     0.5        0.6919     0.5   
    27       2     0.6919     0.5        0.5   
    28       2     0.5        0.3081     0.5   
    29       3     0.23       0.77       0.23  
    30       3     0.77       0.77       0.77  
    31       3     0.77       0.23       0.23  
    32       4     0.3798     0.6202     0.1346
    33       4     0.6202     0.6202     0.8654
    34       4     0.6202     0.3798     0.1346
    35       1     0.5        0.0        0.25  
    36       2     0.0        0.0        0.1919
    37       4     0.1202     0.3654     0.1202
    38       4     0.3654     0.1202     0.1202
    39       1     0.0        0.5        0.25  
    40       2     0.5        0.5        0.3081
    41       4     0.3798     0.8654     0.3798
    42       4     0.8654     0.3798     0.3798
    43       1     0.0        0.5        0.75  
    44       1     0.5        0.0        0.75  
    45       2     0.0        0.0        0.8081
    46       4     0.8798     0.6346     0.1202
    47       4     0.6346     0.1202     0.8798
    48       4     0.8798     0.3654     0.8798
    49       4     0.3654     0.8798     0.8798
    50       4     0.1202     0.6346     0.8798
    51       4     0.6346     0.8798     0.1202
    52       2     0.5        0.5        0.6919
    53       4     0.6202     0.1346     0.3798
    54       4     0.1346     0.3798     0.6202
    55       4     0.6202     0.8654     0.6202
    56       4     0.8654     0.6202     0.6202
    57       4     0.3798     0.1346     0.6202
    58       4     0.1346     0.6202     0.3798


X-ray density (g/cm cub.)   =      5.3 

MU (1/cm) =     851.223    Mass attenuation coefficient (cm**2/g) =    160.49 

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

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

    1   Cu   ,Zn   ,Fe       3.36         4
                                                 2.3323       4
                                                 2.3323       4
                                                 2.3323       4
                                                 2.3323       4
    2   Cu   ,Ag             3.54         3
                                                 2.0134       5
                                                 2.5485       4
                                                 2.5485       4
    3   Sb   ,As             3.264        3
                                                 2.4377       4
                                                 2.4377       4
                                                 2.4377       4
    4    S                   4.368       10
                                                 4.2283       5
                                                 3.7867       4
                                                 3.567        4
                                                 3.7867       4
                                                 3.6383       4
                                                 3.6383       4
                                                 3.8195       4
                                                 3.8195       4
                                                 3.8195       4
                                                 3.8195       4
    5    S                   4.368       12
                                                 4.2283       4
                                                 4.2283       4
                                                 4.2283       4
                                                 4.2283       4
                                                 4.2283       4
                                                 4.2283       4
                                                 4.2283       4
                                                 4.2283       4
                                                 4.2283       4
                                                 4.2283       4
                                                 4.2283       4
                                                 4.2283       4

  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   1   0  5.96   11.919   0.067  182.56   12      131.0     2818.8
    2   2   0   0  8.443  16.887   0.095   89.83    6       44.5       79.9
    3   1   1   2 10.36   20.72    0.117   58.93   24      111.2     1311.1
    4   2   2   0 11.985  23.97    0.135   43.5    12      187.5     1375.9
    5   3   1   0 13.424  26.849   0.151   34.26   24       29.2       52.5
    6   2   2   2 14.733  29.467   0.165   28.1     8      902.8    13738.7
    7   3   2   1 15.944  31.888   0.178   23.72   48      117.1     1170.7
    8   4   0   0 17.077  34.155   0.191   20.44    6      566.4     2948.5
    9   1   1   4 18.148  36.297   0.202   17.89   24      183.7     1085.8
   10   3   3   0 18.148  36.297   0.202   17.89   12      174.5      490.1
   11   4   2   0 19.167  38.334   0.213   15.86   24      107.8      331.4
   12   3   3   2 20.142  40.284   0.224   14.21   24      228.4     1334.1
   13   2   2   4 21.08   42.159   0.233   12.84   24       28.3       18.4
   14   4   3   1 21.984  43.968   0.243   11.68   48      198.4     1654.0
   15   5   1   0 21.984  43.968   0.243   11.68   24      229.1     1102.9
   16   5   2   1 23.711  47.421   0.261    9.85   48      181.5     1167.3
   17   4   4   0 24.538  49.077   0.27     9.11   12      806.0     5323.4
   18   3   3   4 25.346  50.692   0.278    8.46   24      194.2      573.9
   19   5   3   0 25.346  50.692   0.278    8.46   24       45.3       31.2
   20   4   4   2 26.136  52.271   0.286    7.89   24      154.8      340.3
   21   6   0   0 26.136  52.271   0.286    7.89    6      146.4       76.1
   22   1   1   6 26.908  53.817   0.294    7.38   24      321.0     1368.5
   23   5   3   2 26.908  53.817   0.294    7.38   48       77.7      160.5
   24   6   2   0 27.666  55.333   0.301    6.93   24      204.8      523.1
   25   5   4   1 28.411  56.822   0.309    6.53   48      108.5      276.2
   26   2   2   6 29.143  58.285   0.316    6.16   24      485.2     2609.6
   27   6   3   1 29.863  59.726   0.323    5.83   48      147.7      458.0
   28   4   4   4 30.573  61.147   0.33     5.53    8      231.5      177.8
   29   5   4   3 31.274  62.548   0.337    5.26   48      115.2      251.3
   30   5   5   0 31.274  62.548   0.337    5.26   12      267.5      338.9
   31   7   1   0 31.274  62.548   0.337    5.26   24       50.3       24.0
   32   6   4   0 31.966  63.931   0.344    5.02   24       68.1       41.9
   33   3   3   6 32.649  65.299   0.35     4.79   24      158.9      217.7
   34   5   5   2 32.649  65.299   0.35     4.79   24       90.1       70.0
   35   7   2   1 32.649  65.299   0.35     4.79   48       28.4       13.9
   36   6   4   2 33.325  66.651   0.357    4.59   48       89.6      132.7
   37   7   3   0 33.995  67.99    0.363    4.4    24       25.0        4.9
   38   6   5   1 35.315  70.631   0.375    4.07   48      201.4      594.3
   39   7   3   2 35.315  70.631   0.375    4.07   48      144.7      306.7
   40   8   0   0 35.968  71.935   0.381    3.93    6      555.8      545.5
   41   1   1   8 36.615  73.23    0.387    3.79   24      177.7      215.7
   42   5   5   4 36.615  73.23    0.387    3.79   24      190.2      246.9
   43   7   4   1 36.615  73.23    0.387    3.79   48       86.5      102.1
   44   4   4   6 37.258  74.516   0.393    3.67   24       37.7        9.4
   45   8   2   0 37.258  74.516   0.393    3.67   24       88.5       51.7
   46   6   5   3 37.897  75.794   0.399    3.56   48      222.3      633.4
   47   2   2   8 38.532  77.064   0.404    3.46   24      104.5       67.9
   48   6   6   0 38.532  77.064   0.404    3.46   12      208.0      134.6
   49   7   4   3 39.164  78.329   0.41     3.37   48      126.2      193.0
   50   7   5   0 39.164  78.329   0.41     3.37   24       11.2        0.8
   51   8   3   1 39.164  78.329   0.41     3.37   48      219.9      585.7
   52   6   6   2 39.794  79.587   0.415    3.28   24      292.3      504.5
   53   7   5   2 40.42   80.841   0.421    3.2    48      151.1      263.1
   54   8   4   0 41.045  82.09    0.426    3.13   24      126.3       89.9
   55   3   3   8 41.668  83.335   0.432    3.07   24      258.5      369.0
   56   9   1   0 41.668  83.335   0.432    3.07   24       51.0       14.4
   57   8   4   2 42.289  84.578   0.437    3.01   48      122.7      163.3
   58   5   5   6 42.909  85.817   0.442    2.96   24      222.0      262.5
   59   7   6   1 42.909  85.817   0.442    2.96   48      155.2      256.5
   60   9   2   1 42.909  85.817   0.442    2.96   48       17.2        3.2
   61   6   6   4 43.527  87.055   0.447    2.92   24      137.6       99.3
   62   7   5   4 44.146  88.291   0.452    2.88   48      116.9      141.3
   63   8   5   1 44.146  88.291   0.452    2.88   48      151.0      235.9
   64   9   3   0 44.146  88.291   0.452    2.88   24       85.7       38.0


  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   1   0   5.96   11.919  7.41896     2818.8     20.5     20.8     5.6
    2   1   1   2  10.36   20.72   4.28334     1311.1      9.5      9.6     5.6
    3   2   2   0  11.985  23.97   3.70948     1375.9     10.0     10.1     5.6
    4   2   2   2  14.733  29.467  3.02878    13738.7    100.0    100.0     5.6
    5   3   2   1  15.944  31.888  2.80411     1170.7      8.5      8.5     5.6
    6   4   0   0  17.077  34.155  2.623       2948.5     21.5     21.4     5.7
    7   1   1   4  18.148  36.297  2.47299     1575.9     11.5     11.4     5.7
    8   4   2   0  19.167  38.334  2.34608      331.4      2.4      2.4     5.7
    9   3   3   2  20.142  40.284  2.2369      1334.1      9.7      9.6     5.7
   10   4   3   1  21.984  43.968  2.05765     2756.9     20.1     19.8     5.7
   11   5   2   1  23.711  47.421  1.91557     1167.3      8.5      8.3     5.7
   12   4   4   0  24.538  49.077  1.85474     5323.4     38.7     38.0     5.7
   13   3   3   4  25.346  50.692  1.79936      605.1      4.4      4.3     5.8
   14   4   4   2  26.136  52.271  1.74867      416.4      3.0      3.0     5.8
   15   1   1   6  26.908  53.817  1.70203     1529.0     11.1     10.9     5.8
   16   6   2   0  27.666  55.333  1.65893      523.1      3.8      3.7     5.8
   17   5   4   1  28.411  56.822  1.61895      276.2      2.0      2.0     5.8
   18   2   2   6  29.143  58.285  1.58173     2609.6     19.0     18.4     5.8
   19   6   3   1  29.863  59.726  1.54696      458.0      3.3      3.2     5.8
   20   4   4   4  30.573  61.147  1.51439      177.8      1.3      1.2     5.8
   21   5   5   0  31.274  62.548  1.48379      614.2      4.5      4.3     5.8
   22   3   3   6  32.649  65.299  1.42778      301.6      2.2      2.1     5.9
   23   6   5   1  35.315  70.631  1.33249      901.0      6.6      6.2     5.9
   24   8   0   0  35.968  71.935  1.3115       545.5      4.0      3.8     5.9
   25   5   5   4  36.615  73.23   1.29148      564.6      4.1      3.9     6.0
   26   6   5   3  37.897  75.794  1.25403      633.4      4.6      4.3     6.0
   27   6   6   0  38.532  77.064  1.23649      202.6      1.5      1.4     6.0
   28   8   3   1  39.164  78.329  1.21967      779.5      5.7      5.3     6.0
   29   6   6   2  39.794  79.587  1.20351      504.5      3.7      3.4     6.0
   30   7   5   2  40.42   80.841  1.18799      263.1      1.9      1.8     6.1
   31   3   3   8  41.668  83.335  1.15865      383.4      2.8      2.6     6.1
   32   8   4   2  42.289  84.578  1.14477      163.3      1.2      1.1     6.1
   33   5   5   6  42.909  85.817  1.13138      522.1      3.8      3.5     6.1
   34   8   5   1  44.146  88.291  1.10595      415.3      3.0      2.8     6.2

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)