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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STOPPANIITE

1, t-beryl, DN

(Fe,Al,Mg)(4)[Be(6)Si(12)O(36)][H(2)O](2)Na


Hexagonal  P 6/mcc  Z = 1

R =0.041          NR =314

19 .10 .1998

Ref.Str.:

         Ferraris G., Prencipe M., Rossi P. (1998)

         * Eur. J. Mineral., 10, 491-496

Reserv:

         D.T.N.

                   Initial data from BDM-file 

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

             a =   9.397    alpha =   90.0 
             b =   9.397    beta  =   90.0 
             c =   9.202    gamma =  120.0 

    Unit cell volume (cub. angs.) =   703.71

    Molar volume ( cub.cm/mol.) =   423.87

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

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

   1 0.5     0.0     0.25     0.01   Be    = 1.00
   2 0.3799  0.1069  0.0      0.01   Si    = 1.00
   3 0.3333  0.6667  0.25     0.01   Fe    = 0.31, Mg    = 0.59, Al    = 0.1 
   4 0.0     0.0     0.0      0.04   Na    = 0.5 , Na    = 0.0 
   5 0.0     0.0     0.25     0.06   H(2)O = 1.00
   6 0.3005  0.2256  0.0      0.02   O     = 1.00
   7 0.489   0.1353  0.147    0.02   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.5        0.0        0.25  
     2       2     0.3799     0.1069     0.0   
     3       3     0.3333     0.6667     0.25  
     4       4     0.0        0.0        0.0   
     5       5     0.0        0.0        0.25  
     6       6     0.3005     0.2256     0.0   
     7       7     0.489      0.1353     0.147 
     8       1     0.0        0.5        0.25  
     9       1     0.5        0.5        0.25  
    10       2     0.8931     0.273      0.0   
    11       2     0.727      0.6201     0.0   
    12       6     0.7744     0.0749     0.0   
    13       6     0.9251     0.6995     0.0   
    14       7     0.8647     0.3537     0.147 
    15       7     0.6463     0.511      0.147 
    16       2     0.6201     0.8931     0.0   
    17       3     0.6667     0.3333     0.25  
    18       6     0.6995     0.7744     0.0   
    19       7     0.511      0.8647     0.147 
    20       2     0.1069     0.727      0.0   
    21       2     0.273      0.3799     0.0   
    22       6     0.2256     0.9251     0.0   
    23       6     0.0749     0.3005     0.0   
    24       7     0.1353     0.6463     0.147 
    25       7     0.3537     0.489      0.147 
    26       1     0.5        0.5        0.75  
    27       2     0.3799     0.273      0.5   
    28       3     0.3333     0.6666     0.75  
    29       4     0.0        0.0        0.5   
    30       5     0.0        0.0        0.75  
    31       6     0.3005     0.0749     0.5   
    32       7     0.489      0.3537     0.647 
    33       1     0.0        0.5        0.75  
    34       1     0.5        0.0        0.75  
    35       2     0.8931     0.6201     0.5   
    36       2     0.727      0.1069     0.5   
    37       6     0.7744     0.6995     0.5   
    38       6     0.9251     0.2256     0.5   
    39       7     0.8647     0.511      0.647 
    40       7     0.6463     0.1353     0.647 
    41       2     0.6201     0.727      0.5   
    42       3     0.6667     0.3334     0.75  
    43       6     0.6995     0.9251     0.5   
    44       7     0.511      0.6463     0.647 
    45       2     0.1069     0.3799     0.5   
    46       2     0.273      0.8931     0.5   
    47       6     0.2256     0.3005     0.5   
    48       6     0.0749     0.7744     0.5   
    49       7     0.1353     0.489      0.647 
    50       7     0.3537     0.8647     0.647 
    51       7     0.489      0.1353     0.853 
    52       7     0.8647     0.3537     0.853 
    53       7     0.6463     0.511      0.853 
    54       7     0.511      0.8647     0.853 
    55       7     0.1353     0.6463     0.853 
    56       7     0.3537     0.489      0.853 
    57       7     0.489      0.3537     0.353 
    58       7     0.8647     0.511      0.353 
    59       7     0.6463     0.1353     0.353 
    60       7     0.511      0.6463     0.353 
    61       7     0.1353     0.489      0.353 
    62       7     0.3537     0.8647     0.353 


X-ray density (g/cm cub.)   =      2.74

MU (1/cm) =     121.263    Mass attenuation coefficient (cm**2/g) =     44.182

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

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

    1    Be                  2.208        4
                                                 1.63         7
                                                 1.63         7
                                                 1.6301       7
                                                 1.6301       7
    2    Si                  2.268        4
                                                 1.6227       6
                                                 1.6366       7
                                                 1.5949       6
                                                 1.6366       7
    3   Fe   ,Mg   ,Al       2.76         6
                                                 2.0104       7
                                                 2.0101       7
                                                 2.0108       7
                                                 2.0109       7
                                                 2.0104       7
                                                 2.01         7
    4   Na   ,Na             2.976        8
                                                 2.3005       5
                                                 2.5459       6
                                                 2.5459       6
                                                 2.546        6
                                                 2.5459       6
                                                 2.5459       6
                                                 2.546        6
                                                 2.3005       5
    5    H(2)O               3.6         12
                                                 3.4313       6
                                                 3.4313       6
                                                 3.4314       6
                                                 3.4313       6
                                                 3.4313       6
                                                 3.4314       6
                                                 3.4313       6
                                                 3.4313       6
                                                 3.4314       6
                                                 3.4313       6
                                                 3.4313       6
                                                 3.4314       6
    6    O                   3.432       10
                                                 3.4313       5
                                                 2.6815       7
                                                 3.2965       7
                                                 2.5458       6
                                                 2.546        6
                                                 2.6399       7
                                                 3.4313       5
                                                 2.6815       7
                                                 3.2965       7
                                                 2.6399       7
    7    O                   3.432       10
                                                 2.6815       6
                                                 3.2965       6
                                                 3.0709       7
                                                 3.0709       7
                                                 2.6522       7
                                                 2.6398       6
                                                 2.7054       7
                                                 2.7938       7
                                                 2.4038       7
                                                 2.9057       7

  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   0  6.31   12.62    0.061  162.59    6       52.9      552.3
    2   1   1   0 10.974  21.949   0.106   52.29    6        4.7        1.4
    3   0   0   2 11.21   22.42    0.109   50.02    2      101.4      207.9
    4   2   0   0 12.699  25.397   0.123   38.52    6       18.5       15.9
    5   1   0   2 12.904  25.809   0.125   37.24   12       59.3      317.3
    6   1   1   2 15.789  31.578   0.152   24.22   12      127.1      947.8
    7   2   1   0 16.906  33.811   0.163   20.89   12       32.6       53.9
    8   2   0   2 17.065  34.13    0.164   20.47   12       56.8      160.0
    9   2   1   1 17.855  35.71    0.171   18.54   24       95.4      817.7
   10   3   0   0 19.253  38.505   0.184   15.71    6       62.4       74.2
   11   2   1   2 20.475  40.95    0.196   13.7    24       46.9      146.1
   12   2   2   0 22.38   44.759   0.213   11.22    6       41.7       23.7
   13   3   0   2 22.506  45.011   0.214   11.08   12        1.2        0.0
   14   0   0   4 22.881  45.761   0.217   10.67    2      145.7       91.5
   15   3   1   0 23.346  46.693   0.222   10.2    12       36.4       32.7
   16   1   0   4 23.831  47.663   0.226    9.73   12       36.2       30.8
   17   3   1   1 24.082  48.163   0.228    9.51   24       28.8       38.2
   18   2   1   3 24.319  48.639   0.23     9.3    24       19.6       17.3
   19   2   2   2 25.309  50.618   0.239    8.49   12       27.2       15.2
   20   1   1   4 25.653  51.305   0.242    8.23   12        1.7        0.1
   21   4   0   0 26.081  52.162   0.246    7.93    6       49.8       23.8
   22   3   1   2 26.194  52.387   0.247    7.85   24       34.0       43.9
   23   2   0   4 26.529  53.058   0.25     7.63   12       60.3       67.2
   24   3   2   0 28.626  57.252   0.268    6.42   12       29.4       13.5
   25   4   0   2 28.732  57.463   0.269    6.36   12        3.5        0.2
   26   2   1   4 29.047  58.094   0.271    6.21   24        4.0        0.5
   27   3   2   1 29.265  58.53    0.273    6.1    24       29.2       25.2
   28   3   1   3 29.473  58.947   0.275    6.01   24       57.9       97.7
   29   4   1   0 30.243  60.487   0.282    5.67   12      104.5      150.0
   30   3   0   4 30.651  61.301   0.285    5.5    12      110.7      163.4
   31   4   1   1 30.862  61.724   0.287    5.42   24       48.5       61.7
   32   3   2   2 31.133  62.267   0.289    5.32   24        8.5        1.8
   33   4   1   2 32.676  65.352   0.302    4.78   24       43.9       44.7
   34   2   2   4 32.969  65.938   0.304    4.69   12      117.0      155.8
   35   5   0   0 33.336  66.673   0.307    4.58    6       92.9       47.9
   36   3   1   4 33.723  67.446   0.31     4.47   24       13.5        3.9
   37   3   2   3 34.115  68.231   0.314    4.37   24       41.4       36.4
   38   2   1   5 34.497  68.995   0.317    4.27   24       35.1       25.5
   39   3   3   0 34.828  69.656   0.319    4.19    6       24.6        3.1
   40   4   2   0 35.563  71.125   0.325    4.01   12       34.4       11.5
   41   4   1   3 35.591  71.183   0.325    4.01   24       83.0      134.0
   42   5   0   2 35.657  71.313   0.326    3.99   12        9.0        0.8
   43   0   0   6 35.677  71.354   0.326    3.99    2      156.3       39.4
   44   4   0   4 35.938  71.876   0.328    3.93   12        4.7        0.2
   45   4   2   1 36.133  72.266   0.33     3.89   24        3.8        0.3
   46   1   0   6 36.405  72.809   0.332    3.84   12        9.3        0.8
   47   3   3   2 37.106  74.213   0.337    3.7    12       77.5       53.9
   48   5   1   0 37.731  75.462   0.342    3.59   12        1.2        0.0
   49   4   2   2 37.823  75.646   0.343    3.57   24       57.7       57.6
   50   1   1   6 37.843  75.686   0.343    3.57   12       84.1       61.2
   51   3   2   4 38.098  76.196   0.345    3.53   24       42.4       30.7
   52   5   1   1 38.289  76.578   0.346    3.5    24        7.8        1.0
   53   2   0   6 38.555  77.11    0.348    3.46   12       16.2        2.2
   54   3   1   5 38.837  77.673   0.351    3.41   24       16.8        4.7
   55   4   1   4 39.516  79.031   0.356    3.32   24       24.3        9.5
   56   5   1   2 39.948  79.897   0.359    3.26   24       52.8       44.1
   57   4   2   3 40.587  81.175   0.364    3.18   24       12.9        2.6
   58   2   1   6 40.669  81.339   0.364    3.17   24       47.8       35.2
   59   6   0   0 41.259  82.518   0.369    3.11    6       51.3        9.9
   60   4   3   0 41.956  83.912   0.374    3.04   12        7.7        0.4
   61   3   0   6 42.065  84.13    0.375    3.03   12       24.9        4.6
   62   5   0   4 42.314  84.627   0.376    3.01   12       18.9        2.6
   63   4   3   1 42.5    85.0     0.378    2.99   24        0.5        0.0
   64   5   1   3 42.679  85.357   0.379    2.98   24       22.0        7.0
   65   3   2   5 43.035  86.071   0.381    2.95   24       28.8       11.8
   66   5   2   0 43.345  86.691   0.384    2.93   12       87.7       54.6
   67   6   0   2 43.434  86.869   0.384    2.92   12      117.5       97.7
   68   3   3   4 43.702  87.403   0.386    2.9    12       18.6        2.4
   69   5   2   1 43.887  87.775   0.388    2.89   24       75.4       79.7
   70   4   3   2 44.127  88.254   0.389    2.88   24       12.2        2.1
   71   2   2   6 44.147  88.293   0.389    2.88   12       56.6       22.3
   72   4   2   4 44.394  88.788   0.391    2.86   24       56.7       44.5
   73   4   1   5 44.421  88.842   0.391    2.86   24       55.5       42.7
   74   3   1   6 44.839  89.678   0.394    2.84   24       41.7       23.9


  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   1   0   0   6.31   12.62   8.13804      552.3     58.3     59.1     5.6
    2   0   0   2  11.21   22.42   4.601        207.9     21.9     22.1     5.6
    3   2   0   0  12.699  25.397  4.06902       15.9      1.7      1.7     5.6
    4   1   0   2  12.904  25.809  4.0052       317.3     33.5     33.6     5.6
    5   1   1   2  15.789  31.578  3.28733      947.8    100.0    100.0     5.6
    6   2   1   0  16.906  33.811  3.07589       53.9      5.7      5.7     5.7
    7   2   0   2  17.065  34.13   3.04804      160.0     16.9     16.8     5.7
    8   2   1   1  17.855  35.71   2.91723      817.7     86.3     86.0     5.7
    9   3   0   0  19.253  38.505  2.71268       74.2      7.8      7.8     5.7
   10   2   1   2  20.475  40.95   2.5571       146.1     15.4     15.3     5.7
   11   2   2   0  22.38   44.759  2.34925       23.7      2.5      2.5     5.7
   12   0   0   4  22.881  45.761  2.3005        91.5      9.7      9.5     5.7
   13   3   1   0  23.346  46.693  2.25709       32.7      3.4      3.4     5.7
   14   1   0   4  23.831  47.663  2.21375       30.8      3.3      3.2     5.7
   15   3   1   1  24.082  48.163  2.19211       38.2      4.0      4.0     5.7
   16   2   1   3  24.319  48.639  2.17195       17.3      1.8      1.8     5.7
   17   2   2   2  25.309  50.618  2.09229       15.2      1.6      1.6     5.8
   18   4   0   0  26.081  52.162  2.03451       23.8      2.5      2.5     5.8
   19   3   1   2  26.194  52.387  2.02639       43.9      4.6      4.5     5.8
   20   2   0   4  26.529  53.058  2.0026        67.2      7.1      6.9     5.8
   21   3   2   0  28.626  57.252  1.86699       13.5      1.4      1.4     5.8
   22   3   2   1  29.265  58.53   1.82971       25.2      2.7      2.6     5.8
   23   3   1   3  29.473  58.947  1.81794       97.7     10.3     10.0     5.8
   24   4   1   0  30.243  60.487  1.77587      150.0     15.8     15.3     5.8
   25   3   0   4  30.651  61.301  1.75452      163.4     17.2     16.7     5.8
   26   4   1   1  30.862  61.724  1.74369       61.7      6.5      6.3     5.8
   27   4   1   2  32.676  65.352  1.65674       44.7      4.7      4.5     5.9
   28   2   2   4  32.969  65.938  1.64366      155.8     16.4     15.8     5.9
   29   5   0   0  33.336  66.673  1.62761       47.9      5.1      4.8     5.9
   30   3   2   3  34.115  68.231  1.5948        36.4      3.8      3.7     5.9
   31   2   1   5  34.497  68.995  1.57929       25.5      2.7      2.6     5.9
   32   4   1   3  35.591  71.183  1.53687      145.5     15.4     14.6     5.9
   33   0   0   6  35.677  71.354  1.53367       39.4      4.2      3.9     5.9
   34   3   3   2  37.106  74.213  1.48262       53.9      5.7      5.4     6.0
   35   1   1   6  37.843  75.686  1.45796      118.8     12.5     11.8     6.0
   36   3   2   4  38.098  76.196  1.44967       30.7      3.2      3.0     6.0
   37   4   1   4  39.516  79.031  1.40575        9.5      1.0      0.9     6.0
   38   5   1   2  39.948  79.897  1.39303       44.1      4.7      4.3     6.0
   39   2   1   6  40.669  81.339  1.37252       35.2      3.7      3.5     6.1
   40   6   0   0  41.259  82.518  1.35634        9.9      1.0      1.0     6.1
   41   3   2   5  43.035  86.071  1.31066       11.8      1.3      1.1     6.1
   42   5   2   0  43.345  86.691  1.30313       54.6      5.8      5.3     6.1
   43   6   0   2  43.434  86.869  1.30099       97.7     10.3      9.5     6.1
   44   5   2   1  43.887  87.775  1.29026       79.7      8.4      7.7     6.2
   45   2   2   6  44.147  88.293  1.28423       24.4      2.6      2.4     6.2
   46   4   2   4  44.394  88.788  1.27855       87.2      9.2      8.4     6.2
   47   3   1   6  44.839  89.678  1.26853       23.9      2.5      2.3     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)