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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PETRUKITE

1, from Herb claim, British Columbia

[Cu(1.85)Fe(0.95)Zn(0.24)][Sn(0.89)In(0.05)]S(4)


Orthorhombic  P mn2(1)  Z = 2

R =0.08

12 .4 .1900

Ref.Str.:

         G.Adiwija, J.Lohn (1970)

         * Acta Cryst., B26, 1878

Ref.Composition & Lattice:

         Kissin S.A. et al. (1989)

         * Canad. Miner., 27, 673-688

Reserv:

         The coordinates of atoms are from enargite.  N.A.D.

                   Initial data from BDM-file 

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

             a =   7.6671   alpha =   90.0 
             b =   6.4399   beta  =   90.0 
             c =   6.2605   gamma =   90.0 

    Unit cell volume (cub. angs.) =   309.11

    Molar volume ( cub.cm/mol.) =    93.1 

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

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

   1 0.0     0.8268  0.0      0.0    Sn    = 0.89, In    = 0.05
   2 0.0     0.1514  0.4983   0.81   Cu    = 0.62, Fe    = 0.3 , Zn    = 0.08
   3 0.2466  0.3255  0.9866   0.93   Cu    = 0.62, Fe    = 0.3 , Zn    = 0.08
   4 0.0     0.8226  0.6454   0.0    S     = 1.00
   5 0.0     0.1436  0.1166   0.08   S     = 1.00
   6 0.2598  0.3364  0.6188   0.0    S     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.8268     0.0   
     2       2     0.0        0.1514     0.4983
     3       3     0.2466     0.3255     0.9866
     4       4     0.0        0.8226     0.6454
     5       5     0.0        0.1436     0.1166
     6       6     0.2598     0.3364     0.6188
     7       1     0.5        0.1732     0.5   
     8       2     0.5        0.8486     0.9983
     9       3     0.2534     0.6745     0.4866
    10       4     0.5        0.1774     0.1454
    11       5     0.5        0.8564     0.6166
    12       6     0.2402     0.6636     0.1188
    13       3     0.7534     0.3255     0.9866
    14       6     0.7402     0.3364     0.6188
    15       3     0.7466     0.6745     0.4866
    16       6     0.7598     0.6636     0.1188


X-ray density (g/cm cub.)   =      4.55

MU (1/cm) =     764.548    Mass attenuation coefficient (cm**2/g) =    167.982

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

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

    1   Sn   ,In             3.744        4
                                                 2.2201       4
                                                 2.1668       5
                                                 2.2471       6
                                                 2.2471       6
    2   Cu   ,Fe   ,Zn       3.36         4
                                                 2.309        4
                                                 2.3902       5
                                                 2.4405       6
                                                 2.4405       6
    3   Cu   ,Fe   ,Zn       3.36         4
                                                 2.3684       5
                                                 2.3059       6
                                                 2.3817       4
                                                 2.3298       6
    4    S                   4.368       12
                                                 3.6022       5
                                                 3.903        5
                                                 3.8657       6
                                                 3.7147       6
                                                 3.844        5
                                                 3.844        5
                                                 3.6364       6
                                                 3.9127       6
                                                 3.8657       6
                                                 3.7147       6
                                                 3.6364       6
                                                 3.9127       6
    5    S                   4.368       12
                                                 3.903        4
                                                 3.6022       4
                                                 3.9235       6
                                                 3.9015       6
                                                 3.844        4
                                                 3.844        4
                                                 3.8218       6
                                                 3.5982       6
                                                 3.9235       6
                                                 3.9015       6
                                                 3.8218       6
                                                 3.5982       6
    6    S                   4.368       12
                                                 3.7147       4
                                                 3.8657       4
                                                 3.9015       5
                                                 3.9235       5
                                                 3.9127       4
                                                 3.6364       4
                                                 3.8218       5
                                                 3.5982       5
                                                 3.7764       6
                                                 3.7764       6
                                                 3.6833       6
                                                 3.9838       6

  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   0   1   0  7.984  15.968   0.078  100.73    2       24.4      125.6
    2   1   1   0 10.451  20.901   0.101   57.88    4       38.5      359.3
    3   1   0   1 10.629  21.258   0.103   55.88    4       42.9      430.4
    4   0   1   1 11.494  22.987   0.111   47.48    4       30.4      184.0
    5   1   1   1 13.35   26.7     0.129   34.66    8       12.4       44.4
    6   2   0   0 13.493  26.986   0.13    33.89    2       33.7       80.7
    7   2   1   0 15.756  31.511   0.152   24.33    4      163.1     2708.4
    8   0   2   0 16.128  32.256   0.155   23.14    2      162.7     1282.5
    9   0   0   2 16.604  33.207   0.16    21.73    2      238.2     2579.2
   10   1   2   0 17.535  35.07    0.168   19.29    4       14.5       17.0
   11   2   1   1 17.868  35.737   0.172   18.51    8      150.8     3525.6
   12   0   2   1 18.202  36.405   0.175   17.78    4      142.9     1520.1
   13   0   1   2 18.525  37.05    0.178   17.1     4       19.6       27.4
   14   1   2   1 19.478  38.957   0.186   15.31    8       27.0       93.7
   15   1   1   2 19.783  39.566   0.189   14.79    8       22.3       61.6
   16   2   2   0 21.271  42.541   0.203   12.58    4        3.1        0.5
   17   2   0   2 21.648  43.296   0.206   12.09    4       28.3       40.7
   18   3   1   0 22.119  44.239   0.21    11.52    4       30.1       43.8
   19   3   0   1 22.211  44.423   0.211   11.41    4       21.9       22.9
   20   2   2   1 22.948  45.896   0.218   10.6     8       33.1       97.2
   21   2   1   2 23.215  46.431   0.22    10.33    8      106.7      985.3
   22   0   2   2 23.486  46.971   0.223   10.06    4      109.1      501.2
   23   3   1   1 23.749  47.498   0.225    9.81    8       18.2       27.2
   24   1   2   2 24.535  49.069   0.232    9.11    8       14.4       15.8
   25   0   3   0 24.625  49.25    0.233    9.04    2       25.4       12.2
   26   1   3   0 25.639  51.279   0.242    8.24    4       33.1       37.7
   27   0   3   1 26.135  52.271   0.246    7.89    4       13.9        6.4
   28   1   0   3 26.373  52.746   0.248    7.73    4       36.7       43.6
   29   3   2   0 26.54   53.081   0.25     7.62    4       16.3        8.5
   30   0   1   3 26.78   53.56    0.252    7.46    4       37.9       44.8
   31   1   3   1 27.109  54.218   0.255    7.26    8       27.3       45.2
   32   2   2   2 27.503  55.006   0.258    7.03    8        6.0        2.1
   33   1   1   3 27.738  55.475   0.26     6.89    8       10.9        6.8
   34   4   0   0 27.817  55.634   0.261    6.85    2      269.6     1041.3
   35   3   2   1 27.977  55.954   0.262    6.76    8       18.4       19.1
   36   3   1   2 28.209  56.418   0.264    6.63    8       25.9       37.1
   37   2   3   0 28.526  57.052   0.267    6.47    4      262.5     1865.1
   38   4   1   0 29.136  58.271   0.272    6.17    4       19.5        9.8
   39   2   3   1 29.899  59.798   0.279    5.82    8       14.0        9.5
   40   0   3   2 30.348  60.695   0.282    5.63    4       23.8       13.3
   41   2   1   3 30.49   60.981   0.284    5.57    8      212.7     2109.7
   42   4   1   1 30.491  60.983   0.284    5.57    8       23.8       26.5
   43   0   2   3 30.715  61.43    0.286    5.48    4      208.9     1000.7
   44   1   3   2 31.234  62.469   0.29     5.28    8       21.9       21.2
   45   1   2   3 31.596  63.191   0.293    5.15    8       32.9       46.7
   46   3   2   2 32.031  64.063   0.296    5.0     8        8.9        3.3
   47   4   2   0 32.893  65.786   0.304    4.72    4      125.3      310.0
   48   3   3   0 32.967  65.935   0.304    4.69    4       31.1       19.0
   49   4   0   2 33.174  66.348   0.306    4.63    4      186.6      674.9
   50   3   0   3 33.598  67.196   0.309    4.51    4       32.0       19.3
   51   0   4   0 33.75   67.5     0.311    4.47    2      117.1      128.2
   52   2   3   2 33.815  67.631   0.311    4.45    8      182.0     1233.7
   53   2   2   3 34.162  68.324   0.314    4.36    8       38.3       53.5
   54   4   2   1 34.163  68.326   0.314    4.36    8      116.0      490.7
   55   3   3   1 34.236  68.472   0.314    4.34    8       37.9       52.2
   56   4   1   2 34.37   68.74    0.316    4.3     8       16.9       10.3
   57   1   4   0 34.589  69.179   0.317    4.25    4       45.3       36.5
   58   3   1   3 34.787  69.574   0.319    4.2     8       12.0        5.1
   59   0   0   4 34.854  69.709   0.319    4.18    2      107.1      100.3
   60   0   4   1 35.005  70.01    0.321    4.14    4      123.0      262.5
   61   1   4   1 35.831  71.662   0.327    3.96    8        8.5        2.4
   62   0   1   4 36.024  72.049   0.329    3.91    4       20.5        6.9
   63   0   3   3 36.711  73.422   0.334    3.78    4       14.0        3.1
   64   1   1   4 36.84   73.681   0.335    3.75    8       23.4       17.2
   65   5   1   0 36.843  73.685   0.335    3.75    4       29.4       13.6
   66   5   0   1 36.91   73.819   0.336    3.74    4       43.2       29.2
   67   2   4   0 37.055  74.11    0.337    3.71    4       27.6       11.8
   68   1   3   3 37.521  75.042   0.34     3.63    8       33.2       33.5
   69   4   2   2 37.855  75.709   0.343    3.57    8       88.7      235.1
   70   3   3   2 37.925  75.849   0.344    3.56    8       21.0       13.1
   71   5   1   1 38.054  76.108   0.345    3.54    8        4.1        0.5
   72   2   0   4 38.118  76.237   0.345    3.52    4       34.5       17.6
   73   3   2   3 38.256  76.511   0.346    3.5     8       29.7       25.9
   74   2   4   1 38.264  76.528   0.346    3.5     8       18.6       10.1
   75   0   4   2 38.664  77.328   0.349    3.44    4       80.5       93.3
   76   4   3   0 38.727  77.453   0.35     3.43    4       24.5        8.6
   77   2   1   4 39.251  78.502   0.354    3.35    8       45.9       59.2
   78   0   2   4 39.452  78.904   0.355    3.33    4       57.7       46.4
   79   1   4   2 39.461  78.922   0.355    3.33    8       31.9       28.4
   80   2   3   3 39.919  79.837   0.359    3.26    8        6.2        1.1
   81   4   3   1 39.92   79.839   0.359    3.26    8       10.9        3.2
   82   1   2   4 40.244  80.489   0.361    3.22    8       25.1       17.1
   83   5   2   0 40.247  80.493   0.361    3.22    4       10.6        1.5
   84   4   1   3 40.441  80.882   0.363    3.2     8       33.1       29.3
   85   3   4   0 41.043  82.086   0.367    3.13    4       43.8       25.1
   86   5   2   1 41.429  82.857   0.37     3.09    8       26.8       18.6
   87   5   1   2 41.623  83.246   0.371    3.07    8       18.2        8.5
   88   2   4   2 41.828  83.656   0.373    3.05    8       25.5       16.6
   89   3   4   1 42.221  84.441   0.376    3.02    8        4.7        0.6
   90   2   2   4 42.603  85.206   0.378    2.99    8       12.0        3.6
   91   3   1   4 43.188  86.375   0.383    2.94    8       34.1       28.6
   92   4   3   2 43.454  86.909   0.384    2.92    8       22.7       12.6
   93   4   2   3 43.776  87.552   0.387    2.9     8      174.4      738.4
   94   3   3   3 43.844  87.688   0.387    2.89    8       33.5       27.2
   95   0   5   0 43.985  87.97    0.388    2.89    2        9.3        0.5
   96   6   0   0 44.425  88.85    0.391    2.86    2       28.3        4.8
   97   0   4   3 44.563  89.127   0.392    2.85    4      172.8      356.5
   98   1   5   0 44.765  89.53    0.394    2.84    4        6.0        0.4
   99   5   2   2 44.947  89.893   0.395    2.83    8       20.0        9.5


  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   0   1   0   7.984  15.968  6.4399       125.6      3.6      3.6     5.6
    2   1   1   0  10.451  20.901  4.93121      359.3     10.2     10.3     5.6
    3   1   0   1  10.629  21.258  4.84926      430.4     12.2     12.4     5.6
    4   0   1   1  11.494  22.987  4.48893      184.0      5.2      5.3     5.6
    5   1   1   1  13.35   26.7    3.87382       44.4      1.3      1.3     5.6
    6   2   0   0  13.493  26.986  3.83355       80.7      2.3      2.3     5.6
    7   2   1   0  15.756  31.511  3.29408     2708.4     76.8     77.1     5.6
    8   0   2   0  16.128  32.256  3.21995     1282.5     36.4     36.5     5.6
    9   0   0   2  16.604  33.207  3.13025     2579.2     73.2     73.3     5.6
   10   2   1   1  17.868  35.737  2.91517     3525.6    100.0    100.0     5.7
   11   0   2   1  18.202  36.405  2.86341     1520.1     43.1     43.1     5.7
   12   1   2   1  19.478  38.957  2.68245       93.7      2.7      2.6     5.7
   13   1   1   2  19.783  39.566  2.64276       61.6      1.7      1.7     5.7
   14   2   0   2  21.648  43.296  2.42463       40.7      1.2      1.1     5.7
   15   3   1   0  22.119  44.239  2.37548       43.8      1.2      1.2     5.7
   16   2   2   1  22.948  45.896  2.2941        97.2      2.8      2.7     5.7
   17   2   1   2  23.215  46.431  2.26913      985.3     27.9     27.6     5.7
   18   0   2   2  23.486  46.971  2.24446      501.2     14.2     14.1     5.7
   19   1   3   0  25.639  51.279  2.06714       37.7      1.1      1.1     5.8
   20   1   0   3  26.373  52.746  2.01358       43.6      1.2      1.2     5.8
   21   0   1   3  26.78   53.56   1.9852        44.8      1.3      1.2     5.8
   22   1   3   1  27.109  54.218  1.96291       45.2      1.3      1.3     5.8
   23   4   0   0  27.817  55.634  1.91677     1041.3     29.5     28.9     5.8
   24   3   1   2  28.209  56.418  1.89229       37.1      1.1      1.0     5.8
   25   2   3   0  28.526  57.052  1.87298     1865.1     52.9     51.6     5.8
   26   2   1   3  30.49   60.981  1.76286     2136.2     60.6     58.8     5.8
   27   0   2   3  30.715  61.43   1.75121     1000.7     28.4     27.5     5.8
   28   1   2   3  31.596  63.191  1.70725       46.7      1.3      1.3     5.9
   29   4   2   0  32.893  65.786  1.64704      310.0      8.8      8.5     5.9
   30   4   0   2  33.174  66.348  1.63466      674.9     19.1     18.4     5.9
   31   0   4   0  33.75   67.5    1.60997      128.2      3.6      3.5     5.9
   32   2   3   2  33.815  67.631  1.60724     1233.7     35.0     33.6     5.9
   33   4   2   1  34.163  68.326  1.59284      544.2     15.4     14.8     5.9
   34   3   3   1  34.236  68.472  1.58985       52.2      1.5      1.4     5.9
   35   1   4   0  34.589  69.179  1.57561       36.5      1.0      1.0     5.9
   36   0   0   4  34.854  69.709  1.56513      100.3      2.8      2.7     5.9
   37   0   4   1  35.005  70.01   1.55924      262.5      7.4      7.1     5.9
   38   4   2   2  37.855  75.709  1.45758      235.1      6.7      6.3     6.0
   39   3   2   3  38.256  76.511  1.44461       36.0      1.0      1.0     6.0
   40   0   4   2  38.664  77.328  1.43171       93.3      2.6      2.5     6.0
   41   2   1   4  39.251  78.502  1.41367       59.2      1.7      1.6     6.0
   42   0   2   4  39.452  78.904  1.40765       74.7      2.1      2.0     6.0
   43   4   2   3  43.776  87.552  1.29287      738.4     20.9     19.3     6.2
   44   0   4   3  44.563  89.127  1.27471      356.5     10.1      9.3     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)