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       ***
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STANNOIDITE

1, f-stannite, sf-stannoidite, s-stannoidite

Cu(16)(Fe,Zn)(6)S(24)Sn(4)


Orthorhombic  I 222  Z = 1

I222

7 .4 .1988

Ref.Str.:

         Kudoh Y., Takeuchi Y. (1976)

         * Z. Kristallogr., 144, 145-160

                   Initial data from BDM-file 

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

             a =  10.767    alpha =   90.0 
             b =   5.411    beta  =   90.0 
             c =  16.118    gamma =   90.0 

    Unit cell volume (cub. angs.) =   939.04

    Molar volume ( cub.cm/mol.) =   565.62

  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    Fe    = 0.25, Zn    = 0.75
   2 0.0     0.0     0.3298   0.0    Fe    = 1.00
   3 0.5     0.0     0.0      0.0    Cu    = 1.00
   4 0.0     0.0     0.5      0.0    Cu    = 1.00
   5 0.2511  0.0     0.5      0.0    Cu    = 1.00
   6 0.2465  0.0107  0.1695   0.0    Cu    = 1.00
   7 0.0     0.5     0.1693   0.0    Sn    = 1.00
   8 0.1308  0.2443  0.0826   0.0    S     = 1.00
   9 0.3792  0.7558  0.0801   0.0    S     = 1.00
  10 0.1294  0.7488  0.2546   0.0    S     = 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     0.0        0.0        0.3298
     3       3     0.5        0.0        0.0   
     4       4     0.0        0.0        0.5   
     5       5     0.2511     0.0        0.5   
     6       6     0.2465     0.0107     0.1695
     7       7     0.0        0.5        0.1693
     8       8     0.1308     0.2443     0.0826
     9       9     0.3792     0.7558     0.0801
    10      10     0.1294     0.7488     0.2546
    11       5     0.7489     0.0        0.5   
    12       6     0.7535     0.9893     0.1695
    13       8     0.8692     0.7557     0.0826
    14       9     0.6208     0.2442     0.0801
    15      10     0.8706     0.2512     0.2546
    16       2     0.0        0.0        0.6702
    17       6     0.7535     0.0107     0.8305
    18       7     0.0        0.5        0.8307
    19       8     0.8692     0.2443     0.9174
    20       9     0.6208     0.7558     0.9199
    21      10     0.8706     0.7488     0.7454
    22       6     0.2465     0.9893     0.8305
    23       8     0.1308     0.7557     0.9174
    24       9     0.3792     0.2442     0.9199
    25      10     0.1294     0.2512     0.7454
    26       1     0.5        0.5        0.5   
    27       2     0.5        0.5        0.8298
    28       3     0.0        0.5        0.5   
    29       4     0.5        0.5        0.0   
    30       5     0.2489     0.5        0.0   
    31       6     0.2535     0.4893     0.6695
    32       7     0.5        0.0        0.6693
    33       8     0.3692     0.2557     0.5826
    34       9     0.1208     0.7442     0.5801
    35      10     0.3706     0.7512     0.7546
    36       5     0.7511     0.5        0.0   
    37       6     0.7465     0.5107     0.6695
    38       8     0.6308     0.7443     0.5826
    39       9     0.8792     0.2558     0.5801
    40      10     0.6294     0.2488     0.7546
    41       2     0.5        0.5        0.1702
    42       6     0.7465     0.4893     0.3305
    43       7     0.5        0.0        0.3307
    44       8     0.6308     0.2557     0.4174
    45       9     0.8792     0.7442     0.4199
    46      10     0.6294     0.7512     0.2454
    47       6     0.2535     0.5107     0.3305
    48       8     0.3692     0.7443     0.4174
    49       9     0.1208     0.2558     0.4199
    50      10     0.3706     0.2488     0.2454


X-ray density (g/cm cub.)   =      4.61

MU (1/cm) =     668.152    Mass attenuation coefficient (cm**2/g) =    144.796

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

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

    1   Fe   ,Zn             3.18         4
                                                 2.3459       8
                                                 2.3459       8
                                                 2.3459       8
                                                 2.3459       8
    2    Fe                  3.144        4
                                                 2.293       10
                                                 2.293       10
                                                 2.3909       9
                                                 2.3909       9
    3    Cu                  3.36         4
                                                 2.2593       9
                                                 2.2593       9
                                                 2.2593       9
                                                 2.2593       9
    4    Cu                  3.36         4
                                                 2.2966       9
                                                 2.2966       9
                                                 2.2966       9
                                                 2.2966       9
    5    Cu                  3.36         4
                                                 2.303        8
                                                 2.356        9
                                                 2.303        8
                                                 2.356        9
    6    Cu                  3.36         4
                                                 2.2608       8
                                                 2.4536       9
                                                 2.3408      10
                                                 2.223       10
    7    Sn                  3.408        4
                                                 2.4188       8
                                                 2.3757      10
                                                 2.4188       8
                                                 2.3757      10
    8    S                   4.368       12
                                                 3.849        9
                                                 3.7605       9
                                                 3.8907      10
                                                 3.8567      10
                                                 3.9485       8
                                                 3.8631       8
                                                 3.9416      10
                                                 3.876        8
                                                 3.8402       8
                                                 3.7523       8
                                                 3.7457       9
                                                 3.6814      10
    9    S                   4.368       12
                                                 3.7605       8
                                                 3.849        8
                                                 3.8918      10
                                                 3.7082       9
                                                 3.7987       9
                                                 3.6653       9
                                                 3.7457       8
                                                 3.6948       9
                                                 3.7856       9
                                                 3.789       10
                                                 3.7714      10
                                                 3.8253      10
   10    S                   4.368       12
                                                 3.8567       8
                                                 3.8907       8
                                                 3.8918       9
                                                 3.9416       8
                                                 3.8929      10
                                                 3.8748      10
                                                 3.789        9
                                                 3.6814       8
                                                 3.8253       9
                                                 3.7714       9
                                                 3.7531      10
                                                 3.7531      10

  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   0   1  5.734  11.467   0.056  197.41    4       16.0       22.9
    2   0   0   2  6.372  12.745   0.062  159.39    2       12.2        5.4
    3   2   0   0  9.564  19.128   0.093   69.53    2      106.3      178.3
    4   0   1   1 10.042  20.084   0.097   62.86    4       78.6      176.1
    5   1   1   0 10.661  21.323   0.103   55.53    4       33.6       28.5
    6   1   0   3 10.723  21.446   0.104   54.87    4      148.4      547.8
    7   2   0   2 11.526  23.052   0.112   47.21    4       27.6       16.3
    8   1   1   2 12.459  24.918   0.121   40.1     8       98.0      349.1
    9   0   0   4 12.825  25.65    0.124   37.73    2       65.0       36.2
   10   0   1   3 13.569  27.137   0.131   33.49    4        3.1        0.1
   11   2   1   1 13.937  27.874   0.135   31.64    8       74.2      158.0
   12   3   0   1 14.793  29.586   0.143   27.86    4       31.4       12.5
   13   2   0   4 16.097  32.195   0.155   23.23    4       25.2        6.7
   14   2   1   3 16.707  33.415   0.161   21.43    8      684.8     9119.3
   15   1   1   4 16.796  33.592   0.162   21.19    8       87.2      146.3
   16   1   0   5 16.837  33.673   0.162   21.08    4       15.0        2.1
   17   3   1   0 17.401  34.802   0.167   19.62    4       46.9       19.5
   18   3   0   3 17.44   34.881   0.168   19.52    4      131.8      153.7
   19   3   1   2 18.602  37.204   0.178   16.95    8      101.4      158.1
   20   0   1   5 18.843  37.687   0.181   16.47    4       86.1       55.4
   21   0   2   0 19.306  38.611   0.185   15.61    2      427.5      647.2
   22   4   0   0 19.408  38.816   0.186   15.43    2      430.0      647.0
   23   0   0   6 19.449  38.898   0.186   15.36    2      428.1      638.4
   24   1   2   1 20.205  40.409   0.193   14.11    8       25.9        8.6
   25   0   2   2 20.41   40.821   0.195   13.8     4       10.3        0.7
   26   4   0   2 20.508  41.017   0.196   13.65    4        9.7        0.6
   27   2   1   5 21.297  42.595   0.203   12.54    8      107.7      132.1
   28   2   2   0 21.716  43.432   0.207   12.01    4       92.0       46.1
   29   2   0   6 21.846  43.693   0.208   11.85    4       89.5       43.0
   30   3   1   4 21.866  43.732   0.208   11.82    8       91.8       90.4
   31   3   0   5 21.899  43.797   0.208   11.78    4        1.2        0.0
   32   4   1   1 22.041  44.082   0.21    11.61    8       78.8       65.3
   33   1   2   3 22.295  44.589   0.212   11.32    8      140.4      202.3
   34   1   1   6 22.39   44.78    0.213   11.21    8       30.7        9.6
   35   2   2   2 22.724  45.449   0.216   10.84    8       24.0        5.6
   36   1   0   7 23.406  46.812   0.222   10.14    4        0.1        0.0
   37   0   2   4 23.467  46.933   0.223   10.08    4       48.9       10.9
   38   4   0   4 23.554  47.109   0.223   10.0     4       48.5       10.7
   39   4   1   3 24.002  48.004   0.227    9.58    8       23.2        4.7
   40   3   2   1 24.691  49.382   0.234    8.98    8       28.3        6.5
   41   5   0   1 24.775  49.551   0.234    8.91    4       15.9        1.0
   42   0   1   7 24.972  49.943   0.236    8.75    4       71.4       20.2
   43   2   2   4 25.562  51.124   0.241    8.3     8       34.2        8.8
   44   1   2   5 26.074  52.149   0.246    7.93    8       20.6        3.1
   45   0   0   8 26.357  52.713   0.248    7.74    2       37.4        2.5
   46   3   2   3 26.503  53.005   0.249    7.64    8      116.6       94.3
   47   5   1   0 26.555  53.11    0.25     7.61    4       14.6        0.7
   48   5   0   3 26.583  53.166   0.25     7.59    4      148.9       76.4
   49   3   1   6 26.587  53.174   0.25     7.59    8       44.2       13.4
   50   2   1   7 26.981  53.961   0.254    7.34    8       23.8        3.8
   51   5   1   2 27.428  54.855   0.257    7.07    8       67.8       29.5
   52   3   0   7 27.486  54.972   0.258    7.04    4       33.1        3.5
   53   4   1   5 27.607  55.213   0.259    6.97    8       67.0       28.4
   54   4   2   0 27.953  55.906   0.262    6.77    4      871.1     2331.0
   55   0   2   6 27.984  55.968   0.262    6.75    4      869.1     2314.2
   56   4   0   6 28.061  56.122   0.263    6.71    4      867.9     2293.5
   57   2   0   8 28.296  56.592   0.265    6.59    4       20.2        1.2
   58   1   1   8 28.748  57.496   0.269    6.35    8       81.9       38.7
   59   4   2   2 28.797  57.594   0.269    6.33    8       19.9        2.3
   60   2   2   6 29.853  59.705   0.278    5.84    8       62.6       20.7
   61   3   2   5 29.894  59.789   0.279    5.82    8       45.2       10.8
   62   6   0   0 29.897  59.794   0.279    5.82    2       85.1        9.5
   63   0   3   1 29.934  59.869   0.279    5.8     4       81.3       17.4
   64   5   1   4 29.943  59.885   0.279    5.8     8       65.2       22.4
   65   5   0   5 29.969  59.937   0.279    5.79    4        2.8        0.0
   66   1   3   0 30.187  60.374   0.281    5.69    4       28.0        2.0
   67   1   0   9 30.418  60.837   0.283    5.6     4      135.0       46.3
   68   6   0   2 30.707  61.415   0.285    5.48    4       16.1        0.6
   69   1   3   2 30.992  61.985   0.288    5.37    8       78.8       30.2
   70   1   2   7 31.119  62.239   0.289    5.32    8       40.7        8.0
   71   4   2   4 31.242  62.483   0.29     5.28    8       60.7       17.7
   72   0   3   3 31.541  63.082   0.292    5.17    4       25.6        1.5
   73   2   3   1 31.732  63.463   0.294    5.1     8       56.1       14.6
   74   0   1   9 31.742  63.484   0.294    5.1     4       29.6        2.0
   75   6   1   1 31.875  63.75    0.295    5.05    8       57.0       14.9
   76   5   2   1 32.261  64.522   0.298    4.92    8       28.2        3.6
   77   3   1   8 32.364  64.727   0.299    4.88    8       92.4       37.8
   78   4   1   7 32.497  64.995   0.3      4.84    8       56.3       13.9
   79   6   0   4 33.068  66.137   0.305    4.66    4       38.4        3.1
   80   2   3   3 33.289  66.578   0.307    4.6     8      554.1     1280.9
   81   1   3   4 33.342  66.685   0.307    4.58    8       76.2       24.1
   82   6   1   3 33.429  66.857   0.308    4.56    8      554.0     1269.0
   83   2   1   9 33.484  66.968   0.308    4.54    8      550.7     1249.7
   84   0   2   8 33.61   67.219   0.309    4.51    4        3.5        0.0
   85   4   0   8 33.679  67.358   0.31     4.49    4        4.1        0.0
   86   0   0  10 33.707  67.414   0.31     4.48    2       78.1        6.2
   87   3   3   0 33.712  67.423   0.31     4.48    4       42.7        3.7
   88   5   2   3 33.805  67.611   0.311    4.45    8      138.9       77.9
   89   5   1   6 33.878  67.756   0.312    4.43    8       17.5        1.2
   90   3   0   9 33.93   67.86    0.312    4.42    4      105.1       22.1
   91   3   3   2 34.472  68.944   0.316    4.28    8       88.6       30.5
   92   3   2   7 34.592  69.184   0.317    4.24    8       32.3        4.0
   93   0   3   5 34.629  69.258   0.318    4.24    4       53.6        5.5
   94   5   0   7 34.661  69.321   0.318    4.23    4       35.6        2.4
   95   4   2   6 35.097  70.195   0.321    4.12    8      384.7      553.4
   96   2   2   8 35.305  70.61    0.323    4.07    8       28.2        2.9
   97   2   0  10 35.4    70.8     0.324    4.05    4       34.7        2.2
   98   7   0   1 35.744  71.488   0.327    3.97    4       18.6        0.6
   99   1   1  10 35.801  71.602   0.327    3.96    8       64.3       14.9
  100   2   3   5 36.303  72.605   0.331    3.86    8       87.5       26.8
  101   6   1   5 36.437  72.874   0.332    3.83    8       88.4       27.2
  102   3   3   4 36.71   73.419   0.334    3.78    8       87.4       26.2
  103   6   2   0 36.735  73.471   0.334    3.77    4       43.7        3.3
  104   5   2   5 36.8    73.6     0.335    3.76    8       21.3        1.5
  105   6   0   6 36.829  73.658   0.335    3.75    4       41.8        3.0
  106   4   3   1 36.836  73.672   0.335    3.75    8       49.8        8.4
  107   1   3   6 37.09   74.181   0.337    3.7     8       30.4        3.1
  108   7   1   0 37.197  74.394   0.338    3.68    4       54.6        5.0
  109   1   2   9 37.207  74.414   0.338    3.68    8      118.0       46.5
  110   7   0   3 37.22   74.441   0.338    3.68    4       94.0       14.7
  111   6   2   2 37.469  74.938   0.34     3.63    8       35.4        4.1
  112   7   1   2 37.927  75.855   0.344    3.56    8       91.6       27.1
  113   1   0  11 38.029  76.059   0.344    3.54    4       11.4        0.2
  114   4   3   3 38.297  76.593   0.346    3.5     8       30.3        2.9
  115   4   1   9 38.481  76.962   0.348    3.47    8       33.6        3.6
  116   0   3   7 39.046  78.092   0.352    3.38    4       44.1        3.0
  117   5   1   8 39.053  78.107   0.352    3.38    8       70.7       15.3
  118   3   1  10 39.079  78.159   0.352    3.38    8       76.2       17.8
  119   0   1  11 39.229  78.459   0.354    3.36    4       58.7        5.2
  120   6   2   4 39.642  79.283   0.357    3.3     8       22.3        1.5
  121   7   1   4 40.092  80.185   0.36     3.24    8       88.3       23.0
  122   7   0   5 40.115  80.23    0.36     3.24    4       58.3        5.0
  123   4   2   8 40.212  80.424   0.361    3.23    8       26.3        2.0
  124   0   2  10 40.238  80.476   0.361    3.23    4       98.8       14.3
  125   4   0  10 40.303  80.606   0.362    3.22    4       98.4       14.1
  126   5   3   0 40.307  80.615   0.362    3.22    4       19.2        0.5
  127   3   3   6 40.333  80.666   0.362    3.21    8       41.3        5.0
  128   3   2   9 40.447  80.893   0.363    3.2     8      115.1       38.5
  129   5   0   9 40.512  81.023   0.363    3.19    4      130.1       24.5
  130   2   3   7 40.654  81.308   0.364    3.18    8       17.8        0.9
  131   6   1   7 40.784  81.567   0.365    3.16    8       18.4        1.0
  132   2   1  11 40.835  81.67    0.366    3.16    8      115.9       38.5
  133   5   3   2 41.021  82.042   0.367    3.14    8       72.4       14.9
  134   5   2   7 41.134  82.269   0.368    3.12    8       25.6        1.9
  135   4   3   5 41.169  82.339   0.368    3.12    8       72.8       15.0
  136   3   0  11 41.251  82.501   0.369    3.11    4       45.2        2.9
  137   0   4   0 41.393  82.785   0.37     3.1     2      745.0      389.9
  138   8   0   0 41.651  83.302   0.372    3.07    2      742.0      383.5
  139   0   0  12 41.754  83.508   0.372    3.06    2      735.5      375.6
  140   2   2  10 41.835  83.67    0.373    3.05    8       29.3        2.4
  141   6   0   8 41.874  83.747   0.373    3.05    4       33.4        1.5
  142   1   4   1 41.968  83.937   0.374    3.04    8       41.7        4.8
  143   0   4   2 42.103  84.206   0.375    3.03    4       21.7        0.6
  144   1   3   8 42.126  84.252   0.375    3.03    8       82.5       18.7
  145   7   2   1 42.162  84.324   0.375    3.02    8       51.7        7.3
  146   8   0   2 42.361  84.722   0.377    3.01    4       19.8        0.5
  147   2   4   0 42.982  85.964   0.381    2.96    4       50.0        3.3
  148   5   3   4 43.15   86.3     0.382    2.94    8       58.8        9.2
  149   6   2   6 43.201  86.401   0.383    2.94    8       65.6       11.5
  150   2   0  12 43.342  86.683   0.384    2.93    4       43.1        2.5
  151   1   4   3 43.385  86.77    0.384    2.93    8      116.0       35.7
  152   8   1   1 43.4    86.8     0.384    2.92    8       54.6        7.9
  153   7   2   3 43.578  87.155   0.385    2.91    8       96.6       24.7
  154   7   1   6 43.645  87.29    0.386    2.91    8       53.1        7.5
  155   2   4   2 43.689  87.378   0.386    2.9     8       29.5        2.3
  156   1   1  12 43.722  87.443   0.386    2.9     8       29.3        2.3
  157   0   4   4 44.225  88.451   0.39     2.87    4       57.0        4.2
  158   1   2  11 44.36   88.721   0.391    2.86    8       27.7        2.0
  159   7   0   7 44.374  88.747   0.391    2.86    4       38.7        1.9
  160   8   0   4 44.482  88.964   0.392    2.86    4       55.0        3.9
  161   0   3   9 44.735  89.471   0.393    2.84    4       30.7        1.2
  162   8   1   3 44.812  89.625   0.394    2.84    8       36.9        3.5
  163   6   3   1 44.854  89.708   0.394    2.84    8       47.9        5.9


  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   2   0   0   9.564  19.128  5.3835       178.3      2.0      2.0     5.6
    2   0   1   1  10.042  20.084  5.12965      176.1      1.9      2.0     5.6
    3   1   0   3  10.723  21.446  4.80739      547.8      6.0      6.1     5.6
    4   1   1   2  12.459  24.918  4.14594      349.1      3.8      3.9     5.6
    5   2   1   1  13.937  27.874  3.71371      158.0      1.7      1.7     5.6
    6   2   1   3  16.707  33.415  3.11133     9119.3    100.0    100.0     5.7
    7   1   1   4  16.796  33.592  3.09539      146.3      1.6      1.6     5.7
    8   3   0   3  17.44   34.881  2.98438      153.7      1.7      1.7     5.7
    9   3   1   2  18.602  37.204  2.80402      158.1      1.7      1.7     5.7
   10   0   2   0  19.306  38.611  2.7055       647.2      7.1      7.1     5.7
   11   4   0   0  19.408  38.816  2.69175      647.0      7.1      7.1     5.7
   12   0   0   6  19.449  38.898  2.68633      638.4      7.0      7.0     5.7
   13   2   1   5  21.297  42.595  2.46265      132.1      1.4      1.4     5.7
   14   3   1   4  21.866  43.732  2.40162      133.4      1.5      1.4     5.7
   15   1   2   3  22.295  44.589  2.35777      202.3      2.2      2.2     5.7
   16   3   2   3  26.503  53.005  2.00444       94.3      1.0      1.0     5.8
   17   4   2   0  27.953  55.906  1.9082      2331.0     25.6     24.9     5.8
   18   0   2   6  27.984  55.968  1.90626     2314.2     25.4     24.8     5.8
   19   4   0   6  28.061  56.122  1.90144     2293.5     25.1     24.5     5.8
   20   2   3   3  33.289  66.578  1.62966     1280.9     14.0     13.5     5.9
   21   6   1   3  33.429  66.857  1.62364     1269.0     13.9     13.4     5.9
   22   2   1   9  33.484  66.968  1.62126     1249.7     13.7     13.1     5.9
   23   4   2   6  35.097  70.195  1.55567      553.4      6.1      5.8     5.9
   24   0   4   0  41.393  82.785  1.35275      389.9      4.3      4.0     6.1
   25   8   0   0  41.651  83.302  1.34588      383.5      4.2      3.9     6.1
   26   0   0  12  41.754  83.508  1.34317      375.6      4.1      3.8     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)