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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ZHANGPEISHANITE

1, t-matlockite, syn

BaFCl


Tetragonal  * P4/nmm  Z = 2

*P4/nmm

23 .12 .9

Ref.Str.:

         Sauvage M. (1974)

         * Acta Cryst., B30, 2786-2787

         R: See U(ij) in the original.  N.A.D.

                   Initial data from BDM-file 

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

             a =   4.3939   alpha =   90.0 
             b =   4.3939   beta  =   90.0 
             c =   7.2248   gamma =   90.0 

    Unit cell volume (cub. angs.) =   139.48

    Molar volume ( cub.cm/mol.) =    42.01

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

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

   1 0.25    0.25    0.2049   0.0    Ba    = 1.00
   2 0.75    0.25    0.0      0.0    F     = 1.00
   3 0.25    0.25    0.6472   0.0    Cl    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.25       0.25       0.2049
     2       2     0.75       0.25       0.0   
     3       3     0.25       0.25       0.6472
     4       2     0.25       0.75       0.0   
     5       1     0.75       0.75       0.7951
     6       3     0.75       0.75       0.3528


X-ray density (g/cm cub.)   =      4.56

MU (1/cm) =    1175.619    Mass attenuation coefficient (cm**2/g) =    257.529

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

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

    1    Ba                  3.828        9
                                                 2.6492       2
                                                 2.6492       2
                                                 3.1955       3
                                                 2.6492       2
                                                 2.6492       2
                                                 3.2856       3
                                                 3.2856       3
                                                 3.2856       3
                                                 3.2856       3
    2    F                   3.768        8
                                                 3.365        3
                                                 3.365        3
                                                 3.107        2
                                                 3.107        2
                                                 3.107        2
                                                 3.107        2
                                                 3.365        3
                                                 3.365        3
    3    Cl                  4.344        8
                                                 3.365        2
                                                 3.365        2
                                                 3.365        2
                                                 3.365        2
                                                 3.7653       3
                                                 3.7653       3
                                                 3.7653       3
                                                 3.7653       3

  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   0   0   1  6.12   12.241   0.069  172.98    2       26.7     1264.0
    2   1   0   1 11.84   23.68    0.133   44.62    8       68.4     8574.8
    3   0   0   2 12.312  24.624   0.138   41.11    2       72.2     2200.6
    4   1   1   0 14.355  28.709   0.161   29.71    4      104.1     6617.9
    5   1   1   1 15.657  31.314   0.175   24.67    8        5.1       26.4
    6   1   0   2 16.024  32.049   0.179   23.46    8       73.0     5144.4
    7   0   0   3 18.654  37.308   0.208   16.84    2       28.5      140.2
    8   1   1   2 19.087  38.174   0.212   16.01    8       91.6     5522.2
    9   2   0   0 20.525  41.05    0.228   13.63    4      119.0     3966.2
   10   1   0   3 21.392  42.783   0.237   12.42    8       62.3     1982.1
   11   2   0   1 21.498  42.996   0.238   12.28    8       21.5      234.4
   12   1   1   3 23.871  47.742   0.263    9.7     8       50.7     1026.1
   13   2   1   1 23.969  47.937   0.264    9.61   16       58.6     2712.5
   14   2   0   2 24.228  48.455   0.266    9.38    8       60.8     1424.3
   15   0   0   4 25.243  50.487   0.277    8.54    2       26.0       59.5
   16   2   1   2 26.503  53.005   0.29     7.64   16       60.3     2281.9
   17   1   0   4 27.457  54.915   0.299    7.05    8       78.3     1779.1
   18   2   0   3 28.332  56.665   0.308    6.57    8       27.2      199.4
   19   1   1   4 29.557  59.114   0.32     5.97    8        4.8        5.6
   20   2   2   0 29.725  59.451   0.322    5.89    4      101.2     1241.9
   21   2   1   3 30.393  60.786   0.328    5.61   16       54.2     1353.7
   22   2   2   1 30.476  60.952   0.329    5.57    8       18.1       74.8
   23   0   0   5 32.214  64.428   0.346    4.93    2       79.8      323.2
   24   3   0   1 32.454  64.907   0.348    4.86    8       52.4      548.1
   25   2   2   2 32.666  65.333   0.35     4.79    8       55.0      594.8
   26   2   0   4 33.51   67.021   0.358    4.53    8       22.5       94.1
   27   3   1   0 33.667  67.334   0.36     4.49    8       78.2     1130.1
   28   1   0   5 34.136  68.273   0.364    4.36    8       28.4      144.4
   29   3   1   1 34.369  68.739   0.366    4.3    16        0.2        0.0
   30   3   0   2 34.576  69.153   0.368    4.25    8       53.7      503.2
   31   2   1   4 35.398  70.796   0.376    4.05   16       70.3     1648.3
   32   1   1   5 36.009  72.018   0.382    3.92    8       59.5      570.0
   33   2   2   3 36.161  72.322   0.383    3.89    8       25.7      105.7
   34   3   1   2 36.439  72.878   0.386    3.83   16       68.9     1493.8
   35   3   0   3 37.991  75.983   0.4      3.55    8       49.2      353.3
   36   2   0   5 39.646  79.293   0.414    3.3     8       72.2      706.6
   37   0   0   6 39.769  79.538   0.415    3.28    2       28.1       26.7
   38   3   1   3 39.793  79.587   0.415    3.28   16       39.7      425.2
   39   3   2   1 39.867  79.734   0.416    3.27   16       47.9      618.1
   40   2   2   4 40.845  81.69    0.425    3.16    8       19.8       50.9
   41   2   1   5 41.429  82.858   0.43     3.09   16       26.1      173.7
   42   1   0   6 41.551  83.101   0.431    3.08    8       51.1      331.3
   43   3   2   2 41.842  83.683   0.433    3.05   16       49.4      613.7
   44   3   0   4 42.617  85.235   0.44     2.98    8       64.9      516.4
   45   1   1   6 43.319  86.638   0.445    2.93    8       13.3       21.2
   46   3   1   4 44.381  88.762   0.454    2.86   16        5.5        7.1
   47   4   0   0 44.526  89.051   0.455    2.85    4       83.5      409.5


  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   6.12   12.241  7.2248      1264.0     14.7     14.9     5.6
    2   1   0   1  11.84   23.68   3.75414     8574.8    100.0    100.0     5.6
    3   0   0   2  12.312  24.624  3.6124      2200.6     25.7     25.6     5.6
    4   1   1   0  14.355  28.709  3.10696     6617.9     77.2     76.9     5.6
    5   1   0   2  16.024  32.049  2.79042     5144.4     60.0     59.6     5.6
    6   0   0   3  18.654  37.308  2.40827      140.2      1.6      1.6     5.7
    7   1   1   2  19.087  38.174  2.35555     5522.2     64.4     63.6     5.7
    8   2   0   0  20.525  41.05   2.19695     3966.2     46.3     45.6     5.7
    9   1   0   3  21.392  42.783  2.11186     1982.1     23.1     22.7     5.7
   10   2   0   1  21.498  42.996  2.10192      234.4      2.7      2.7     5.7
   11   1   1   3  23.871  47.742  1.90342     1026.1     12.0     11.7     5.7
   12   2   1   1  23.969  47.937  1.89613     2712.5     31.6     30.9     5.7
   13   2   0   2  24.228  48.455  1.87707     1424.3     16.6     16.2     5.7
   14   2   1   2  26.503  53.005  1.72616     2281.9     26.6     25.9     5.8
   15   1   0   4  27.457  54.915  1.67056     1779.1     20.7     20.1     5.8
   16   2   0   3  28.332  56.665  1.62305      199.4      2.3      2.2     5.8
   17   2   2   0  29.725  59.451  1.55348     1241.9     14.5     13.9     5.8
   18   2   1   3  30.393  60.786  1.5225      1353.7     15.8     15.2     5.8
   19   0   0   5  32.214  64.428  1.44496      323.2      3.8      3.6     5.9
   20   3   0   1  32.454  64.907  1.43543      548.1      6.4      6.1     5.9
   21   2   2   2  32.666  65.333  1.42711      594.8      6.9      6.6     5.9
   22   2   0   4  33.51   67.021  1.39521       94.1      1.1      1.0     5.9
   23   3   1   0  33.667  67.334  1.38947     1130.1     13.2     12.5     5.9
   24   1   0   5  34.136  68.273  1.37264      144.4      1.7      1.6     5.9
   25   3   0   2  34.576  69.153  1.35731      503.2      5.9      5.6     5.9
   26   2   1   4  35.398  70.796  1.32978     1648.3     19.2     18.2     5.9
   27   1   1   5  36.009  72.018  1.3102       570.0      6.6      6.3     5.9
   28   2   2   3  36.161  72.322  1.30544      105.7      1.2      1.2     5.9
   29   3   1   2  36.439  72.878  1.29685     1493.8     17.4     16.4     6.0
   30   3   0   3  37.991  75.983  1.25138      353.3      4.1      3.9     6.0
   31   2   0   5  39.646  79.293  1.20725      706.6      8.2      7.7     6.0
   32   3   1   3  39.793  79.587  1.20352      451.9      5.3      4.9     6.0
   33   3   2   1  39.867  79.734  1.20167      618.1      7.2      6.7     6.0
   34   2   1   5  41.429  82.858  1.16411      173.7      2.0      1.9     6.1
   35   1   0   6  41.551  83.101  1.16131      331.3      3.9      3.6     6.1
   36   3   2   2  41.842  83.683  1.15471      613.7      7.2      6.6     6.1
   37   3   0   4  42.617  85.235  1.13762      516.4      6.0      5.5     6.1
   38   4   0   0  44.526  89.051  1.09847      409.5      4.8      4.3     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)