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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PALENZONAITE

3, t-garnet

(Ca,Na)(3)Mn(2)V(3)O(12)


Cubic  I a3d  Z = 8

Ia3d

18 .9 .13

Ref.Str.:

         Nagashima M., Armbruster T. (2012)

         * Mineral. Mag., 76, 1081-1097

         R: from Gambatesa mine, Italy.

         N.A.D.

                   Initial data from BDM-file 

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

             a =  12.5359   alpha =   90.0 
             b =  12.5359   beta  =   90.0 
             c =  12.5359   gamma =   90.0 

    Unit cell volume (cub. angs.) =  1970.0 

    Molar volume ( cub.cm/mol.) =   148.33

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

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

   1 0.125   0.0     0.25     0.0    Ca    = 0.73, Na    = 0.27
   2 0.375   0.0     0.25     0.0    V     = 0.9 , As    = 0.04, Si    = 0.06
   3 0.0     0.0     0.0      0.0    Mn    = 0.99, Mn    = 0.0 
   4 0.0392  0.0542  0.6583   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.125      0.0        0.25  
     2       2     0.375      0.0        0.25  
     3       3     0.0        0.0        0.0   
     4       4     0.0392     0.0542     0.6583
     5       1     0.875      0.0        0.75  
     6       2     0.625      0.0        0.75  
     7       4     0.9608     0.9458     0.3417
     8       1     0.75       0.375      0.0   
     9       1     0.375      0.0        0.75  
    10       1     0.75       0.625      0.5   
    11       2     0.75       0.625      0.0   
    12       2     0.125      0.0        0.75  
    13       2     0.75       0.375      0.5   
    14       3     0.75       0.25       0.75  
    15       3     0.5        0.0        0.5   
    16       3     0.75       0.75       0.25  
    17       4     0.6958     0.2892     0.4083
    18       4     0.4608     0.9458     0.1583
    19       4     0.8042     0.7108     0.9083
    20       1     0.75       0.125      0.5   
    21       1     0.625      0.0        0.25  
    22       1     0.75       0.875      0.0   
    23       2     0.75       0.875      0.5   
    24       2     0.875      0.0        0.25  
    25       2     0.75       0.125      0.0   
    26       4     0.8042     0.2108     0.0917
    27       4     0.5392     0.0542     0.8417
    28       4     0.6958     0.7892     0.5917
    29       3     0.0        0.0        0.5   
    30       4     0.9608     0.0542     0.1583
    31       4     0.0392     0.9458     0.8417
    32       1     0.25       0.375      0.5   
    33       1     0.25       0.625      0.0   
    34       2     0.25       0.625      0.5   
    35       2     0.25       0.375      0.0   
    36       3     0.25       0.25       0.25  
    37       3     0.5        0.0        0.0   
    38       3     0.25       0.75       0.75  
    39       4     0.3042     0.2892     0.9083
    40       4     0.5392     0.9458     0.6583
    41       4     0.1958     0.7108     0.4083
    42       1     0.25       0.125      0.0   
    43       1     0.25       0.875      0.5   
    44       2     0.25       0.875      0.0   
    45       2     0.25       0.125      0.5   
    46       4     0.1958     0.2108     0.5917
    47       4     0.4608     0.0542     0.3417
    48       4     0.3042     0.7892     0.0917
    49       1     0.375      0.5        0.25  
    50       2     0.125      0.5        0.25  
    51       3     0.5        0.5        0.5   
    52       4     0.4608     0.4458     0.8417
    53       1     0.625      0.5        0.75  
    54       2     0.875      0.5        0.75  
    55       4     0.5392     0.5542     0.1583
    56       1     0.125      0.5        0.75  
    57       2     0.375      0.5        0.75  
    58       3     0.0        0.5        0.0   
    59       4     0.0392     0.5542     0.3417
    60       1     0.875      0.5        0.25  
    61       2     0.625      0.5        0.25  
    62       4     0.9608     0.4458     0.6583
    63       3     0.5        0.5        0.0   
    64       4     0.5392     0.4458     0.3417
    65       4     0.4608     0.5542     0.6583
    66       3     0.0        0.5        0.5   
    67       4     0.9608     0.5542     0.8417
    68       4     0.0392     0.4458     0.1583
    69       1     0.0        0.25       0.125 
    70       2     0.0        0.25       0.375 
    71       4     0.0542     0.6583     0.0392
    72       4     0.6583     0.0392     0.0542
    73       1     0.0        0.75       0.875 
    74       2     0.0        0.75       0.625 
    75       4     0.9458     0.3417     0.9608
    76       4     0.3417     0.9608     0.9458
    77       1     0.0        0.75       0.375 
    78       1     0.5        0.75       0.625 
    79       2     0.0        0.75       0.125 
    80       2     0.5        0.75       0.375 
    81       4     0.2892     0.4083     0.6958
    82       4     0.4083     0.6958     0.2892
    83       4     0.9458     0.1583     0.4608
    84       4     0.1583     0.4608     0.9458
    85       4     0.7108     0.9083     0.8042
    86       4     0.9083     0.8042     0.7108
    87       1     0.5        0.75       0.125 
    88       1     0.0        0.25       0.625 
    89       2     0.5        0.75       0.875 
    90       2     0.0        0.25       0.875 
    91       4     0.2108     0.0917     0.8042
    92       4     0.0917     0.8042     0.2108
    93       4     0.0542     0.8417     0.5392
    94       4     0.8417     0.5392     0.0542
    95       4     0.7892     0.5917     0.6958
    96       4     0.5917     0.6958     0.7892
    97       4     0.0542     0.1583     0.9608
    98       4     0.1583     0.9608     0.0542
    99       4     0.9458     0.8417     0.0392
   100       4     0.8417     0.0392     0.9458
   101       1     0.5        0.25       0.375 
   102       2     0.5        0.25       0.625 
   103       4     0.2892     0.9083     0.3042
   104       4     0.9083     0.3042     0.2892
   105       4     0.9458     0.6583     0.5392
   106       4     0.6583     0.5392     0.9458
   107       4     0.7108     0.4083     0.1958
   108       4     0.4083     0.1958     0.7108
   109       1     0.5        0.25       0.875 
   110       2     0.5        0.25       0.125 
   111       4     0.2108     0.5917     0.1958
   112       4     0.5917     0.1958     0.2108
   113       4     0.0542     0.3417     0.4608
   114       4     0.3417     0.4608     0.0542
   115       4     0.7892     0.0917     0.3042
   116       4     0.0917     0.3042     0.7892
   117       4     0.4458     0.8417     0.4608
   118       4     0.8417     0.4608     0.4458
   119       4     0.5542     0.1583     0.5392
   120       4     0.1583     0.5392     0.5542
   121       4     0.5542     0.3417     0.0392
   122       4     0.3417     0.0392     0.5542
   123       4     0.4458     0.6583     0.9608
   124       4     0.6583     0.9608     0.4458
   125       4     0.4458     0.3417     0.5392
   126       4     0.3417     0.5392     0.4458
   127       4     0.5542     0.6583     0.4608
   128       4     0.6583     0.4608     0.5542
   129       4     0.5542     0.8417     0.9608
   130       4     0.8417     0.9608     0.5542
   131       4     0.4458     0.1583     0.0392
   132       4     0.1583     0.0392     0.4458
   133       3     0.25       0.25       0.75  
   134       3     0.25       0.75       0.25  
   135       4     0.3042     0.2108     0.4083
   136       4     0.1958     0.7892     0.9083
   137       4     0.1958     0.2892     0.0917
   138       4     0.3042     0.7108     0.5917
   139       3     0.75       0.25       0.25  
   140       3     0.75       0.75       0.75  
   141       4     0.6958     0.2108     0.9083
   142       4     0.8042     0.7892     0.4083
   143       4     0.8042     0.2892     0.5917
   144       4     0.6958     0.7108     0.0917
   145       4     0.7108     0.0917     0.6958
   146       4     0.5917     0.8042     0.2892
   147       4     0.2892     0.5917     0.8042
   148       4     0.0917     0.6958     0.7108
   149       4     0.7892     0.4083     0.8042
   150       4     0.9083     0.6958     0.2108
   151       4     0.2108     0.9083     0.6958
   152       4     0.4083     0.8042     0.7892
   153       4     0.7108     0.5917     0.3042
   154       4     0.0917     0.1958     0.2892
   155       4     0.2892     0.0917     0.1958
   156       4     0.5917     0.3042     0.7108
   157       4     0.7892     0.9083     0.1958
   158       4     0.4083     0.3042     0.2108
   159       4     0.2108     0.4083     0.3042
   160       4     0.9083     0.1958     0.7892


X-ray density (g/cm cub.)   =      3.77

MU (1/cm) =     546.949    Mass attenuation coefficient (cm**2/g) =    145.006

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

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

    1   Ca   ,Na             2.88         8
                                                 2.454        4
                                                 2.454        4
                                                 2.5381       4
                                                 2.5381       4
                                                 2.454        4
                                                 2.5381       4
                                                 2.5381       4
                                                 2.454        4
    2   V    ,As   ,Si       2.496        4
                                                 1.7143       4
                                                 1.7143       4
                                                 1.7143       4
                                                 1.7143       4
    3   Mn   ,Mn             2.724        6
                                                 2.1542       4
                                                 2.1542       4
                                                 2.1542       4
                                                 2.1542       4
                                                 2.1542       4
                                                 2.1542       4
    4    O                   3.264        9
                                                 2.6706       4
                                                 2.8987       4
                                                 3.0342       4
                                                 2.8617       4
                                                 3.0589       4
                                                 3.0342       4
                                                 3.0589       4
                                                 2.8617       4
                                                 2.9227       4

  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   2  8.657  17.313   0.098   85.35   24       54.7      157.8
    2   2   2   0 10.009  20.017   0.113   63.3    12       83.5      136.6
    3   3   2   1 13.292  26.583   0.149   34.99   48       49.6      106.3
    4   4   0   0 14.228  28.456   0.16    30.28    6      577.6     1561.6
    5   4   2   0 15.95   31.9     0.178   23.7    24      445.3     2905.8
    6   3   3   2 16.751  33.501   0.187   21.31   24      202.1      538.6
    7   2   2   4 17.519  35.038   0.195   19.33   24      397.7     1891.0
    8   4   3   1 18.259  36.518   0.203   17.66   48      126.6      350.1
    9   5   2   1 19.667  39.334   0.218   14.98   48       71.0       93.3
   10   4   4   0 20.34   40.68    0.226   13.9    12        8.7        0.3
   11   1   1   6 22.258  44.516   0.246   11.36   24      134.1      126.4
   12   5   3   2 22.258  44.516   0.246   11.36   48       80.9       91.9
   13   6   2   0 22.869  45.737   0.252   10.69   24      160.5      170.3
   14   5   4   1 23.467  46.933   0.258   10.08   48       30.6       11.7
   15   6   3   1 24.629  49.259   0.271    9.03   48       56.4       35.5
   16   4   4   4 25.196  50.391   0.276    8.58    8      393.4      273.6
   17   5   4   3 25.753  51.505   0.282    8.16   48       29.9        9.0
   18   6   4   0 26.301  52.603   0.288    7.78   24      468.2     1054.5
   19   3   3   6 26.842  53.684   0.293    7.43   24       17.7        1.4
   20   5   5   2 26.842  53.684   0.293    7.43   24       13.1        0.8
   21   7   2   1 26.842  53.684   0.293    7.43   48       16.1        2.4
   22   6   4   2 27.375  54.751   0.298    7.1    48      500.2     2196.8
   23   6   5   1 28.936  57.871   0.314    6.26   48       35.7        9.9
   24   7   3   2 28.936  57.871   0.314    6.26   48       58.3       26.3
   25   8   0   0 29.444  58.887   0.319    6.02    6      628.6      367.9
   26   7   4   1 29.946  59.893   0.324    5.8    48       70.9       36.1
   27   8   2   0 30.444  60.888   0.329    5.59   24       42.5        6.2
   28   6   5   3 30.937  61.874   0.334    5.39   48      103.7       71.8
   29   2   2   8 31.425  62.851   0.338    5.21   24       85.7       23.7
   30   6   6   0 31.425  62.851   0.338    5.21   12        4.3        0.0
   31   7   4   3 31.909  63.819   0.343    5.04   48       36.1        8.1
   32   8   3   1 31.909  63.819   0.343    5.04   48       27.6        4.7
   33   7   5   2 32.866  65.732   0.352    4.73   48       81.8       39.1
   34   8   4   0 33.339  66.678   0.357    4.58   24      406.2      467.7
   35   8   4   2 34.275  68.549   0.366    4.33   48      342.4      627.3
   36   5   5   6 34.738  69.476   0.37     4.21   24       23.6        1.4
   37   7   6   1 34.738  69.476   0.37     4.21   48      116.1       70.2
   38   9   2   1 34.738  69.476   0.37     4.21   48       27.1        3.8
   39   6   6   4 35.199  70.397   0.374    4.1    24      361.3      330.8
   40   7   5   4 35.657  71.313   0.378    3.99   48       80.1       31.7
   41   8   5   1 35.657  71.313   0.378    3.99   48       72.9       26.2
   42   7   6   3 36.565  73.131   0.387    3.8    48       19.7        1.8
   43   9   3   2 36.565  73.131   0.387    3.8    48        0.3        0.0
   44   4   4   8 37.016  74.033   0.391    3.72   24       73.5       12.4
   45   8   5   3 37.466  74.931   0.395    3.64   48       89.4       36.0
   46   9   4   1 37.466  74.931   0.395    3.64   48       94.3       40.0
   47   8   6   0 37.913  75.825   0.399    3.56   24       14.3        0.5
   48   1   1  10 38.358  76.716   0.403    3.49   24       83.1       14.9
   49   7   7   2 38.358  76.716   0.403    3.49   24       12.7        0.3
   50   8   6   2 38.802  77.604   0.407    3.42   48       17.1        1.2
   51  10   2   0 38.802  77.604   0.407    3.42   24       71.3       10.7
   52   9   4   3 39.244  78.488   0.411    3.35   48       77.4       24.8
   53   7   6   5 40.124  80.249   0.418    3.24   48       28.4        3.2
   54   9   5   2 40.124  80.249   0.418    3.24   48       47.9        9.2
   55  10   3   1 40.124  80.249   0.418    3.24   48       24.6        2.4
   56   8   7   1 41.0    82.001   0.426    3.14   48       15.1        0.9
   57   8   6   4 41.437  82.873   0.43     3.09   48      285.3      311.3
   58  10   4   0 41.437  82.873   0.43     3.09   24      321.5      197.7
   59   3   3  10 41.872  83.745   0.433    3.05   24       26.4        1.3
   60   9   6   1 41.872  83.745   0.433    3.05   48       32.9        4.1
   61  10   4   2 42.307  84.615   0.437    3.01   48      371.8      514.8
   62   8   7   3 42.742  85.483   0.441    2.97   48       36.9        5.0
   63   9   5   4 42.742  85.483   0.441    2.97   48       27.8        2.8
   64   9   6   3 43.609  87.217   0.448    2.91   48        3.7        0.0
   65  10   5   1 43.609  87.217   0.448    2.91   48       10.1        0.4
   66  11   2   1 43.609  87.217   0.448    2.91   48       10.0        0.4
   67   8   8   0 44.042  88.083   0.451    2.88   12      674.4      405.3


  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   1   1   2   8.657  17.313  5.11776      157.8      5.4      5.5     5.6
    2   2   2   0  10.009  20.017  4.43211      136.6      4.7      4.7     5.6
    3   3   2   1  13.292  26.583  3.35036      106.3      3.7      3.7     5.6
    4   4   0   0  14.228  28.456  3.13398     1561.6     53.7     53.9     5.6
    5   4   2   0  15.95   31.9    2.80311     2905.8    100.0    100.0     5.6
    6   3   3   2  16.751  33.501  2.67266      538.6     18.5     18.5     5.7
    7   2   2   4  17.519  35.038  2.55888     1891.0     65.1     64.9     5.7
    8   4   3   1  18.259  36.518  2.45849      350.1     12.0     12.0     5.7
    9   5   2   1  19.667  39.334  2.28873       93.3      3.2      3.2     5.7
   10   1   1   6  22.258  44.516  2.03359      218.3      7.5      7.4     5.7
   11   6   2   0  22.869  45.737  1.9821       170.3      5.9      5.8     5.7
   12   6   3   1  24.629  49.259  1.84832       35.5      1.2      1.2     5.7
   13   4   4   4  25.196  50.391  1.8094       273.6      9.4      9.2     5.8
   14   6   4   0  26.301  52.603  1.73842     1054.5     36.3     35.5     5.8
   15   6   4   2  27.375  54.751  1.67518     2196.8     75.6     73.8     5.8
   16   7   3   2  28.936  57.871  1.59206       36.2      1.2      1.2     5.8
   17   8   0   0  29.444  58.887  1.56699      367.9     12.7     12.3     5.8
   18   7   4   1  29.946  59.893  1.54306       36.1      1.2      1.2     5.8
   19   6   5   3  30.937  61.874  1.49833       71.8      2.5      2.4     5.8
   20   7   5   2  32.866  65.732  1.41941       39.1      1.3      1.3     5.9
   21   8   4   0  33.339  66.678  1.40156      467.7     16.1     15.4     5.9
   22   8   4   2  34.275  68.549  1.36778      627.3     21.6     20.6     5.9
   23   9   2   1  34.738  69.476  1.35178       75.5      2.6      2.5     5.9
   24   6   6   4  35.199  70.397  1.33633      330.8     11.4     10.8     5.9
   25   7   5   4  35.657  71.313  1.3214        57.9      2.0      1.9     5.9
   26   9   4   1  37.466  74.931  1.26632       75.9      2.6      2.5     6.0
   27   8   6   4  41.437  82.873  1.16393      509.0     17.5     16.2     6.1
   28  10   4   2  42.307  84.615  1.14437      514.8     17.7     16.4     6.1
   29   8   8   0  44.042  88.083  1.10803      405.3     13.9     12.8     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)