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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HARDYSTONITE

4, t-melilite, syn

Ca(2)(Zn,Co)Si(2)O(7)


Tetragonal  P 4(-)2(1)m  Z = 2

R =0.0438          NR =363

29 .10 .15

Ref.Str.:

         Ardit M., Cruciani G., Dondi M. (2012)

         * Phys. Chem. Minerals, 39, 713-723

         L: $Ca2 Zn0.9 Co0.1 Si2 O7$

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   7.8277   alpha =   90.0 
             b =   7.8277   beta  =   90.0 
             c =   5.0163   gamma =   90.0 

    Unit cell volume (cub. angs.) =   307.36

    Molar volume ( cub.cm/mol.) =    92.57

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

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

   1 0.3314  0.1686  0.5076   2.13   Ca    = 1.00
   2 0.0     0.0     0.0      1.15   Zn    = 0.9 , Co    = 0.1 
   3 0.1389  0.3611  0.938    0.82   Si    = 1.00
   4 0.5     0.0     0.1771   0.92   O     = 1.00
   5 0.1399  0.3601  0.2554   1.66   O     = 1.00
   6 0.087   0.1857  0.7896   1.83   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3314     0.1686     0.5076
     2       2     0.0        0.0        0.0   
     3       3     0.1389     0.3611     0.938 
     4       4     0.5        0.0        0.1771
     5       5     0.1399     0.3601     0.2554
     6       6     0.087      0.1857     0.7896
     7       1     0.1686     0.6686     0.4924
     8       1     0.6686     0.8314     0.5076
     9       1     0.8314     0.3314     0.4924
    10       3     0.3611     0.8611     0.062 
    11       3     0.8611     0.6389     0.938 
    12       3     0.6389     0.1389     0.062 
    13       4     0.0        0.5        0.8229
    14       5     0.3601     0.8601     0.7446
    15       5     0.8601     0.6399     0.2554
    16       5     0.6399     0.1399     0.7446
    17       6     0.1857     0.913      0.2104
    18       6     0.913      0.8143     0.7896
    19       6     0.8143     0.087      0.2104
    20       2     0.5        0.5        0.0   
    21       6     0.413      0.6857     0.2104
    22       6     0.3143     0.413      0.7896
    23       6     0.587      0.3143     0.2104
    24       6     0.6857     0.587      0.7896


X-ray density (g/cm cub.)   =      3.38

MU (1/cm) =     249.199    Mass attenuation coefficient (cm**2/g) =     73.694

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

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

    1    Ca                  2.88         8
                                                 2.4964       4
                                                 2.4687       5
                                                 2.383        6
                                                 2.701        5
                                                 2.701        5
                                                 2.7434       6
                                                 2.383        6
                                                 2.7434       6
    2   Zn   ,Co             2.628        4
                                                 1.9211       6
                                                 1.9211       6
                                                 1.9211       6
                                                 1.9211       6
    3    Si                  2.1          4
                                                 1.5922       5
                                                 1.6138       6
                                                 1.6425       4
                                                 1.6138       6
    4    O                   3.264        8
                                                 3.2407       5
                                                 2.6656       5
                                                 3.2407       5
                                                 2.6656       5
                                                 2.5582       6
                                                 2.5582       6
                                                 2.5582       6
                                                 2.5582       6
    5    O                   3.264        7
                                                 3.0358       6
                                                 2.7377       6
                                                 3.2407       4
                                                 2.6656       4
                                                 3.0974       5
                                                 3.0358       6
                                                 2.7377       6
    6    O                   3.264        7
                                                 2.7377       5
                                                 3.0358       5
                                                 2.5582       4
                                                 3.0999       6
                                                 3.2104       6
                                                 3.0999       6
                                                 2.5162       6

  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  8.0    15.999   0.09   100.32    4        7.3       22.4
    2   0   0   1  8.833  17.666   0.1     81.89    2       47.1      383.9
    3   1   0   1 10.508  21.017   0.118   57.22    8       17.1      141.5
    4   2   0   0 11.35   22.701   0.128   48.74    4        9.6       19.1
    5   1   1   1 11.96   23.921   0.135   43.69    8       49.9      920.8
    6   2   1   0 12.711  25.423   0.143   38.44    8       17.4       99.1
    7   2   0   1 14.455  28.911   0.162   29.27    8       74.4     1372.4
    8   2   1   1 15.564  31.129   0.174   24.98   16       73.5     2286.5
    9   2   2   0 16.161  32.321   0.181   23.04    4       59.0      339.2
   10   0   0   2 17.885  35.77    0.199   18.48    2       58.8      135.1
   11   3   1   0 18.13   36.261   0.202   17.93    8       73.5      821.1
   12   2   2   1 18.535  37.069   0.206   17.08    8       42.4      260.4
   13   1   0   2 18.814  37.627   0.209   16.53    8       33.2      154.7
   14   3   0   1 19.436  38.873   0.216   15.38    8       33.7      148.1
   15   1   1   2 19.705  39.409   0.219   14.92    8       29.5      110.3
   16   3   1   1 20.304  40.609   0.225   13.96   16       28.3      189.9
   17   3   2   0 20.781  41.563   0.23    13.25    8        8.9        8.9
   18   2   0   2 21.393  42.786   0.237   12.42    8       11.0       12.7
   19   2   1   2 22.198  44.395   0.245   11.43   16       36.8      262.4
   20   3   2   1 22.743  45.487   0.251   10.82   16       17.1       53.8
   21   4   0   0 23.18   46.36    0.256   10.37    4       33.1       48.1
   22   4   1   0 23.937  47.874   0.263    9.64    8       42.1      144.6
   23   2   2   2 24.486  48.972   0.269    9.15    8       53.4      221.3
   24   3   3   0 24.677  49.353   0.271    8.99    4       51.2       99.8
   25   4   0   1 24.993  49.986   0.274    8.74    8       28.9       61.8
   26   3   0   2 25.213  50.427   0.277    8.56    8       12.1       10.6
   27   4   1   1 25.71   51.42    0.282    8.19   16       37.9      199.0
   28   3   1   2 25.926  51.852   0.284    8.04   16       77.3      814.2
   29   4   2   0 26.109  52.218   0.286    7.91    8       66.6      297.4
   30   3   3   1 26.413  52.826   0.289    7.7     8       52.2      177.6
   31   0   0   3 27.43   54.86    0.299    7.07    2       18.6        5.2
   32   4   2   1 27.781  55.563   0.303    6.87   16       33.7      131.9
   33   3   2   2 27.986  55.972   0.305    6.75   16       23.2       61.3
   34   1   0   3 28.103  56.206   0.306    6.69    8       18.5       19.3
   35   1   1   3 28.766  57.531   0.312    6.35    8       42.2       95.5
   36   4   3   0 29.474  58.947   0.319    6.01    8        0.4        0.0
   37   4   0   2 29.95   59.901   0.324    5.79    8        9.5        4.4
   38   2   0   3 30.063  60.125   0.325    5.75    8       43.6       92.3
   39   5   1   0 30.117  60.234   0.326    5.72    8       29.1       41.1
   40   4   1   2 30.588  61.175   0.33     5.53   16       14.2       19.0
   41   2   1   3 30.698  61.397   0.331    5.48   16       32.7       99.5
   42   4   3   1 31.026  62.052   0.335    5.36   16        2.4        0.5
   43   5   0   1 31.026  62.052   0.335    5.36    8       16.3       12.0
   44   3   3   2 31.217  62.434   0.336    5.29    8        8.3        3.1
   45   5   1   1 31.65   63.301   0.341    5.13   16       44.0      168.4
   46   5   2   0 32.0    64.001   0.344    5.01    8       21.2       19.1
   47   4   2   2 32.455  64.911   0.348    4.86   16       31.7       82.6
   48   2   2   3 32.563  65.125   0.349    4.82    8       54.7      122.3
   49   3   0   3 33.171  66.342   0.355    4.63    8       36.1       51.1
   50   5   2   1 33.485  66.971   0.358    4.54   16       49.9      191.3
   51   3   1   3 33.774  67.548   0.361    4.46   16       32.8       81.3
   52   4   4   0 33.825  67.65    0.361    4.45    4       76.6      110.6
   53   5   3   0 35.015  70.03    0.372    4.14    8       36.5       46.7
   54   4   4   1 35.271  70.543   0.375    4.08    8       49.1       83.3
   55   4   3   2 35.451  70.901   0.376    4.04   16       21.5       31.5
   56   5   0   2 35.451  70.901   0.376    4.04    8        9.4        3.0
   57   3   2   3 35.553  71.107   0.377    4.02   16       12.0        9.7
   58   5   1   2 36.036  72.072   0.382    3.91   16       24.0       38.2
   59   6   0   0 36.187  72.375   0.383    3.88    4       79.4      103.5
   60   5   3   1 36.44   72.88    0.386    3.83   16        6.1        2.4
   61   6   1   0 36.768  73.535   0.389    3.76    8       30.6       29.8
   62   4   0   3 37.296  74.591   0.393    3.67    8       27.5       23.5
   63   6   0   1 37.594  75.189   0.396    3.61    8       11.1        3.7
   64   5   2   2 37.769  75.539   0.398    3.58   16       18.2       20.2
   65   4   1   3 37.87   75.739   0.398    3.57   16       39.4       93.6
   66   0   0   4 37.895  75.791   0.399    3.56    2       72.3       39.5
   67   6   1   1 38.167  76.334   0.401    3.52   16       20.0       23.9
   68   3   3   3 38.441  76.881   0.404    3.47    8       51.0       76.5
   69   1   0   4 38.466  76.933   0.404    3.47    8       10.0        3.0
   70   6   2   0 38.489  76.978   0.404    3.47    8       22.1       14.3
   71   1   1   4 39.035  78.069   0.409    3.38    8       19.6       11.0
   72   5   4   0 39.057  78.114   0.409    3.38    8        8.8        2.2
   73   4   4   2 39.476  78.952   0.413    3.32    8       36.1       36.6
   74   4   2   3 39.575  79.15    0.414    3.31   16       20.5       23.6
   75   6   2   1 39.868  79.737   0.416    3.27   16       41.3       94.3
   76   2   0   4 40.164  80.329   0.419    3.23    8        6.7        1.2
   77   5   4   1 40.431  80.863   0.421    3.2    16       28.9       45.3
   78   5   3   2 40.603  81.205   0.422    3.18   16       34.6       64.6
   79   2   1   4 40.726  81.452   0.424    3.17   16       11.2        6.7
   80   6   3   0 41.309  82.618   0.428    3.11    8       19.0        9.5
   81   6   0   2 41.722  83.445   0.432    3.06    8       52.1       70.3
   82   6   1   2 42.28   84.561   0.437    3.01   16       15.1       11.7
   83   4   3   3 42.378  84.756   0.438    3.0    16       25.7       33.6
   84   5   0   3 42.378  84.756   0.438    3.0     8        2.6        0.2
   85   2   2   4 42.403  84.806   0.438    3.0     8       37.9       36.5
   86   6   3   1 42.667  85.335   0.44     2.98   16       11.0        6.1
   87   5   1   3 42.935  85.869   0.442    2.96   16       42.2       89.2
   88   3   0   4 42.96   85.919   0.442    2.96    8       34.6       29.9
   89   3   1   4 43.516  87.031   0.447    2.92   16       36.6       66.2
   90   6   2   2 43.949  87.897   0.45     2.89   16       16.5       13.2
   91   5   5   0 44.093  88.186   0.452    2.88    4        5.3        0.3
   92   7   1   0 44.093  88.186   0.452    2.88    8       11.3        3.1
   93   5   4   2 44.504  89.007   0.455    2.85   16       18.2       16.0
   94   5   2   3 44.601  89.202   0.456    2.85   16       22.6       24.6
   95   7   0   1 44.889  89.778   0.458    2.83    8        1.5        0.1


  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   0   0   1   8.833  17.666  5.0163       383.9     16.8     17.0     5.6
    2   1   0   1  10.508  21.017  4.22348      141.5      6.2      6.2     5.6
    3   1   1   1  11.96   23.921  3.71695      920.8     40.3     40.5     5.6
    4   2   1   0  12.711  25.423  3.50065       99.1      4.3      4.4     5.6
    5   2   0   1  14.455  28.911  3.08574     1372.4     60.0     60.1     5.6
    6   2   1   1  15.564  31.129  2.87074     2286.5    100.0    100.0     5.6
    7   2   2   0  16.161  32.321  2.76751      339.2     14.8     14.8     5.6
    8   0   0   2  17.885  35.77   2.50815      135.1      5.9      5.9     5.7
    9   3   1   0  18.13   36.261  2.47534      821.1     35.9     35.7     5.7
   10   2   2   1  18.535  37.069  2.42319      260.4     11.4     11.3     5.7
   11   1   0   2  18.814  37.627  2.38853      154.7      6.8      6.7     5.7
   12   3   0   1  19.436  38.873  2.31481      148.1      6.5      6.4     5.7
   13   1   1   2  19.705  39.409  2.28454      110.3      4.8      4.8     5.7
   14   3   1   1  20.304  40.609  2.21979      189.9      8.3      8.2     5.7
   15   2   1   2  22.198  44.395  2.03885      262.4     11.5     11.3     5.7
   16   3   2   1  22.743  45.487  1.99242       53.8      2.4      2.3     5.7
   17   4   0   0  23.18   46.36   1.95693       48.1      2.1      2.1     5.7
   18   4   1   0  23.937  47.874  1.8985       144.6      6.3      6.2     5.7
   19   2   2   2  24.486  48.972  1.85847      221.3      9.7      9.5     5.7
   20   3   3   0  24.677  49.353  1.84501       99.8      4.4      4.3     5.7
   21   4   0   1  24.993  49.986  1.82311       61.8      2.7      2.7     5.7
   22   4   1   1  25.71   51.42   1.77559      199.0      8.7      8.5     5.8
   23   3   1   2  25.926  51.852  1.76181      814.2     35.6     34.9     5.8
   24   4   2   0  26.109  52.218  1.75033      297.4     13.0     12.7     5.8
   25   3   3   1  26.413  52.826  1.7316       177.6      7.8      7.6     5.8
   26   4   2   1  27.781  55.563  1.65261      131.9      5.8      5.6     5.8
   27   3   2   2  27.986  55.972  1.64149       61.3      2.7      2.6     5.8
   28   1   1   3  28.766  57.531  1.60066       95.5      4.2      4.1     5.8
   29   2   0   3  30.063  60.125  1.53765       92.3      4.0      3.9     5.8
   30   5   1   0  30.117  60.234  1.53514       41.1      1.8      1.7     5.8
   31   2   1   3  30.698  61.397  1.50882       99.5      4.4      4.2     5.8
   32   5   1   1  31.65   63.301  1.46794      168.4      7.4      7.1     5.9
   33   4   2   2  32.455  64.911  1.43537       82.6      3.6      3.5     5.9
   34   2   2   3  32.563  65.125  1.43116      122.3      5.4      5.1     5.9
   35   3   0   3  33.171  66.342  1.40783       51.1      2.2      2.1     5.9
   36   5   2   1  33.485  66.971  1.39613      191.3      8.4      8.0     5.9
   37   3   1   3  33.774  67.548  1.38559       81.3      3.6      3.4     5.9
   38   4   4   0  33.825  67.65   1.38375      110.6      4.8      4.6     5.9
   39   5   3   0  35.015  70.03   1.34244       46.7      2.0      1.9     5.9
   40   4   4   1  35.271  70.543  1.33393       83.3      3.6      3.5     5.9
   41   4   3   2  35.451  70.901  1.32806       34.5      1.5      1.4     5.9
   42   5   1   2  36.036  72.072  1.30935       38.2      1.7      1.6     5.9
   43   6   0   0  36.187  72.375  1.30462      103.5      4.5      4.3     5.9
   44   6   1   0  36.768  73.535  1.28687       29.8      1.3      1.2     6.0
   45   4   0   3  37.296  74.591  1.27124       23.5      1.0      1.0     6.0
   46   4   1   3  37.87   75.739  1.2548       133.1      5.8      5.5     6.0
   47   6   1   1  38.167  76.334  1.2465        23.9      1.0      1.0     6.0
   48   3   3   3  38.441  76.881  1.23898       79.5      3.5      3.3     6.0
   49   4   4   2  39.476  78.952  1.2116        36.6      1.6      1.5     6.0
   50   4   2   3  39.575  79.15   1.20906       23.6      1.0      1.0     6.0
   51   6   2   1  39.868  79.737  1.20163       94.3      4.1      3.9     6.0
   52   5   4   1  40.431  80.863  1.18772       45.3      2.0      1.8     6.1
   53   5   3   2  40.603  81.205  1.18357       64.6      2.8      2.6     6.1
   54   6   0   2  41.722  83.445  1.15741       70.3      3.1      2.8     6.1
   55   2   2   4  42.403  84.806  1.14227       70.2      3.1      2.8     6.1
   56   5   1   3  42.935  85.869  1.13083      119.1      5.2      4.8     6.1
   57   3   1   4  43.516  87.031  1.1187        66.2      2.9      2.7     6.1
   58   5   2   3  44.601  89.202  1.09701       24.6      1.1      1.0     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)