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

4, t-garnet

(Ca,Na)(3)Mn(2)(V,As)(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 Fianel mine, Switzerland.

         N.A.D.

                   Initial data from BDM-file 

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

             a =  12.5342   alpha =   90.0 
             b =  12.5342   beta  =   90.0 
             c =  12.5342   gamma =   90.0 

    Unit cell volume (cub. angs.) =  1969.2 

    Molar volume ( cub.cm/mol.) =   148.27

  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    = 0.68, Na    = 0.32
   2 0.375   0.0     0.25     0.0    V     = 0.52, As    = 0.46, Si    = 0.01
   3 0.0     0.0     0.0      0.0    Mn    = 0.97, Mn    = 0.0 
   4 0.0397  0.0537  0.6588   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     0.0397     0.0537     0.6588
     5       1     0.875      0.0        0.75  
     6       2     0.625      0.0        0.75  
     7       4     0.9603     0.9463     0.3412
     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     0.6963     0.2897     0.4088
    18       4     0.4603     0.9463     0.1588
    19       4     0.8037     0.7103     0.9088
    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     0.8037     0.2103     0.0912
    27       4     0.5397     0.0537     0.8412
    28       4     0.6963     0.7897     0.5912
    29       3     0.0        0.0        0.5   
    30       4     0.9603     0.0537     0.1588
    31       4     0.0397     0.9463     0.8412
    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     0.3037     0.2897     0.9088
    40       4     0.5397     0.9463     0.6588
    41       4     0.1963     0.7103     0.4088
    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     0.1963     0.2103     0.5912
    47       4     0.4603     0.0537     0.3412
    48       4     0.3037     0.7897     0.0912
    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     0.4603     0.4463     0.8412
    53       1     0.625      0.5        0.75  
    54       2     0.875      0.5        0.75  
    55       4     0.5397     0.5537     0.1588
    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     0.0397     0.5537     0.3412
    60       1     0.875      0.5        0.25  
    61       2     0.625      0.5        0.25  
    62       4     0.9603     0.4463     0.6588
    63       3     0.5        0.5        0.0   
    64       4     0.5397     0.4463     0.3412
    65       4     0.4603     0.5537     0.6588
    66       3     0.0        0.5        0.5   
    67       4     0.9603     0.5537     0.8412
    68       4     0.0397     0.4463     0.1588
    69       1     0.0        0.25       0.125 
    70       2     0.0        0.25       0.375 
    71       4     0.0537     0.6588     0.0397
    72       4     0.6588     0.0397     0.0537
    73       1     0.0        0.75       0.875 
    74       2     0.0        0.75       0.625 
    75       4     0.9463     0.3412     0.9603
    76       4     0.3412     0.9603     0.9463
    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     0.2897     0.4088     0.6963
    82       4     0.4088     0.6963     0.2897
    83       4     0.9463     0.1588     0.4603
    84       4     0.1588     0.4603     0.9463
    85       4     0.7103     0.9088     0.8037
    86       4     0.9088     0.8037     0.7103
    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     0.2103     0.0912     0.8037
    92       4     0.0912     0.8037     0.2103
    93       4     0.0537     0.8412     0.5397
    94       4     0.8412     0.5397     0.0537
    95       4     0.7897     0.5912     0.6963
    96       4     0.5912     0.6963     0.7897
    97       4     0.0537     0.1588     0.9603
    98       4     0.1588     0.9603     0.0537
    99       4     0.9463     0.8412     0.0397
   100       4     0.8412     0.0397     0.9463
   101       1     0.5        0.25       0.375 
   102       2     0.5        0.25       0.625 
   103       4     0.2897     0.9088     0.3037
   104       4     0.9088     0.3037     0.2897
   105       4     0.9463     0.6588     0.5397
   106       4     0.6588     0.5397     0.9463
   107       4     0.7103     0.4088     0.1963
   108       4     0.4088     0.1963     0.7103
   109       1     0.5        0.25       0.875 
   110       2     0.5        0.25       0.125 
   111       4     0.2103     0.5912     0.1963
   112       4     0.5912     0.1963     0.2103
   113       4     0.0537     0.3412     0.4603
   114       4     0.3412     0.4603     0.0537
   115       4     0.7897     0.0912     0.3037
   116       4     0.0912     0.3037     0.7897
   117       4     0.4463     0.8412     0.4603
   118       4     0.8412     0.4603     0.4463
   119       4     0.5537     0.1588     0.5397
   120       4     0.1588     0.5397     0.5537
   121       4     0.5537     0.3412     0.0397
   122       4     0.3412     0.0397     0.5537
   123       4     0.4463     0.6588     0.9603
   124       4     0.6588     0.9603     0.4463
   125       4     0.4463     0.3412     0.5397
   126       4     0.3412     0.5397     0.4463
   127       4     0.5537     0.6588     0.4603
   128       4     0.6588     0.4603     0.5537
   129       4     0.5537     0.8412     0.9603
   130       4     0.8412     0.9603     0.5537
   131       4     0.4463     0.1588     0.0397
   132       4     0.1588     0.0397     0.4463
   133       3     0.25       0.25       0.75  
   134       3     0.25       0.75       0.25  
   135       4     0.3037     0.2103     0.4088
   136       4     0.1963     0.7897     0.9088
   137       4     0.1963     0.2897     0.0912
   138       4     0.3037     0.7103     0.5912
   139       3     0.75       0.25       0.25  
   140       3     0.75       0.75       0.75  
   141       4     0.6963     0.2103     0.9088
   142       4     0.8037     0.7897     0.4088
   143       4     0.8037     0.2897     0.5912
   144       4     0.6963     0.7103     0.0912
   145       4     0.7103     0.0912     0.6963
   146       4     0.5912     0.8037     0.2897
   147       4     0.2897     0.5912     0.8037
   148       4     0.0912     0.6963     0.7103
   149       4     0.7897     0.4088     0.8037
   150       4     0.9088     0.6963     0.2103
   151       4     0.2103     0.9088     0.6963
   152       4     0.4088     0.8037     0.7897
   153       4     0.7103     0.5912     0.3037
   154       4     0.0912     0.1963     0.2897
   155       4     0.2897     0.0912     0.1963
   156       4     0.5912     0.3037     0.7103
   157       4     0.7897     0.9088     0.1963
   158       4     0.4088     0.3037     0.2103
   159       4     0.2103     0.4088     0.3037
   160       4     0.9088     0.1963     0.7897


X-ray density (g/cm cub.)   =      3.95

MU (1/cm) =     496.726    Mass attenuation coefficient (cm**2/g) =    125.685

 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
                                                 2.5455       4
                                                 2.5455       4
                                                 2.454        4
                                                 2.5455       4
                                                 2.5455       4
                                                 2.454        4
    2   V    ,As   ,Si       2.496        4
                                                 1.7035       4
                                                 1.7035       4
                                                 1.7035       4
                                                 1.7035       4
    3   Mn   ,Mn             2.724        6
                                                 2.1598       4
                                                 2.1598       4
                                                 2.1598       4
                                                 2.1598       4
                                                 2.1598       4
                                                 2.1598       4
    4    O                   3.264        9
                                                 2.6529       4
                                                 2.9017       4
                                                 3.0497       4
                                                 2.8441       4
                                                 3.0591       4
                                                 3.0497       4
                                                 3.0591       4
                                                 2.8441       4
                                                 2.9283       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  8.658  17.315   0.098   85.33   24      100.5      533.3
    2   2   2   0 10.01   20.02    0.113   63.28   12       37.6       27.6
    3   3   2   1 13.294  26.587   0.149   34.98   48       89.5      347.1
    4   4   0   0 14.23   28.46    0.16    30.27    6      606.0     1720.2
    5   4   2   0 15.952  31.904   0.178   23.69   24      509.7     3809.9
    6   3   3   2 16.753  33.506   0.187   21.31   24      236.9      740.1
    7   2   2   4 17.521  35.043   0.195   19.32   24      421.9     2128.8
    8   4   3   1 18.262  36.523   0.203   17.65   48      126.9      351.8
    9   5   2   1 19.67   39.34    0.218   14.98   48       36.6       24.9
   10   4   4   0 20.343  40.686   0.226   13.9    12       41.1        7.3
   11   1   1   6 22.261  44.522   0.246   11.36   24      102.1       73.2
   12   5   3   2 22.261  44.522   0.246   11.36   48       50.6       36.0
   13   6   2   0 22.872  45.744   0.252   10.68   24      129.0      110.1
   14   5   4   1 23.47   46.94    0.259   10.08   48       30.2       11.4
   15   6   3   1 24.633  49.266   0.271    9.03   48       85.5       81.8
   16   4   4   4 25.199  50.399   0.276    8.57    8      477.4      403.2
   17   5   4   3 25.756  51.513   0.282    8.16   48       29.9        9.1
   18   6   4   0 26.305  52.61    0.288    7.77   24      515.2     1277.4
   19   3   3   6 26.846  53.692   0.293    7.42   24        7.7        0.3
   20   5   5   2 26.846  53.692   0.293    7.42   24       44.9        9.3
   21   7   2   1 26.846  53.692   0.293    7.42   48       46.3       19.7
   22   6   4   2 27.379  54.759   0.299    7.1    48      520.2     2377.9
   23   6   5   1 28.94   57.88    0.314    6.26   48       64.4       32.2
   24   7   3   2 28.94   57.88    0.314    6.26   48       85.6       56.8
   25   8   0   0 29.448  58.896   0.319    6.02    6      692.6      446.8
   26   7   4   1 29.951  59.902   0.324    5.79   48       72.5       37.7
   27   8   2   0 30.449  60.897   0.329    5.59   24       40.0        5.5
   28   6   5   3 30.942  61.883   0.334    5.39   48      134.2      120.2
   29   2   2   8 31.43   62.86    0.338    5.21   24       55.8       10.0
   30   6   6   0 31.43   62.86    0.338    5.21   12       32.7        1.7
   31   7   4   3 31.914  63.829   0.343    5.04   48       33.7        7.1
   32   8   3   1 31.914  63.829   0.343    5.04   48       27.2        4.6
   33   7   5   2 32.871  65.742   0.352    4.72   48      108.6       68.9
   34   8   4   0 33.344  66.688   0.357    4.58   24      424.0      509.9
   35   8   4   2 34.28   68.56    0.366    4.32   48      390.3      815.5
   36   5   5   6 34.743  69.487   0.37     4.21   24        4.1        0.0
   37   7   6   1 34.743  69.487   0.37     4.21   48      143.1      106.6
   38   9   2   1 34.743  69.487   0.37     4.21   48       51.6       13.9
   39   6   6   4 35.204  70.408   0.374    4.1    24      380.1      366.3
   40   7   5   4 35.662  71.325   0.378    3.99   48       79.0       30.8
   41   8   5   1 35.662  71.325   0.378    3.99   48       72.7       26.1
   42   7   6   3 36.571  73.142   0.387    3.8    48       46.4       10.2
   43   9   3   2 36.571  73.142   0.387    3.8    48       25.8        3.1
   44   4   4   8 37.022  74.045   0.391    3.72   24       45.3        4.7
   45   8   5   3 37.471  74.943   0.395    3.63   48       88.8       35.5
   46   9   4   1 37.471  74.943   0.395    3.63   48       94.5       40.2
   47   8   6   0 37.919  75.837   0.399    3.56   24       14.2        0.4
   48   1   1  10 38.364  76.728   0.403    3.49   24      108.4       25.4
   49   7   7   2 38.364  76.728   0.403    3.49   24       13.6        0.4
   50   8   6   2 38.808  77.616   0.407    3.42   48       44.2        8.3
   51  10   2   0 38.808  77.616   0.407    3.42   24       96.2       19.6
   52   9   4   3 39.25   78.501   0.411    3.35   48       77.3       24.8
   53   7   6   5 40.131  80.262   0.418    3.24   48        1.3        0.0
   54   9   5   2 40.131  80.262   0.418    3.24   48       74.1       22.0
   55  10   3   1 40.131  80.262   0.418    3.24   48       48.6        9.5
   56   8   7   1 41.007  82.014   0.426    3.14   48       13.6        0.7
   57   8   6   4 41.444  82.887   0.43     3.09   48      329.5      415.6
   58  10   4   0 41.444  82.887   0.43     3.09   24      364.4      254.1
   59   3   3  10 41.879  83.759   0.433    3.05   24        0.9        0.0
   60   9   6   1 41.879  83.759   0.433    3.05   48       59.2       13.2
   61  10   4   2 42.314  84.629   0.437    3.01   48      389.8      566.1
   62   8   7   3 42.749  85.497   0.441    2.97   48       39.0        5.6
   63   9   5   4 42.749  85.497   0.441    2.97   48       30.3        3.4
   64   9   6   3 43.616  87.232   0.448    2.91   48       27.9        2.8
   65  10   5   1 43.616  87.232   0.448    2.91   48       37.8        5.2
   66  11   2   1 43.616  87.232   0.448    2.91   48       36.1        4.7
   67   8   8   0 44.049  88.098   0.451    2.88   12      737.7      485.2


  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   8.658  17.315  5.11707      533.3     14.0     14.2     5.6
    2   3   2   1  13.294  26.587  3.34991      347.1      9.1      9.1     5.6
    3   4   0   0  14.23   28.46   3.13355     1720.2     45.1     45.3     5.6
    4   4   2   0  15.952  31.904  2.80273     3809.9    100.0    100.0     5.6
    5   3   3   2  16.753  33.506  2.6723       740.1     19.4     19.4     5.7
    6   2   2   4  17.521  35.043  2.55853     2128.8     55.9     55.7     5.7
    7   4   3   1  18.262  36.523  2.45816      351.8      9.2      9.2     5.7
    8   1   1   6  22.261  44.522  2.03332      109.3      2.9      2.8     5.7
    9   6   2   0  22.872  45.744  1.98183      110.1      2.9      2.8     5.7
   10   6   3   1  24.633  49.266  1.84807       81.8      2.1      2.1     5.7
   11   4   4   4  25.199  50.399  1.80916      403.2     10.6     10.4     5.8
   12   6   4   0  26.305  52.61   1.73818     1277.4     33.5     32.8     5.8
   13   6   4   2  27.379  54.759  1.67495     2377.9     62.4     60.9     5.8
   14   7   3   2  28.94   57.88   1.59184       88.9      2.3      2.3     5.8
   15   8   0   0  29.448  58.896  1.56677      446.8     11.7     11.4     5.8
   16   6   5   3  30.942  61.883  1.49812      120.2      3.2      3.0     5.8
   17   7   5   2  32.871  65.742  1.41922       68.9      1.8      1.7     5.9
   18   8   4   0  33.344  66.688  1.40137      509.9     13.4     12.8     5.9
   19   8   4   2  34.28   68.56   1.36759      815.5     21.4     20.4     5.9
   20   7   6   1  34.743  69.487  1.3516       120.5      3.2      3.0     5.9
   21   6   6   4  35.204  70.408  1.33615      366.3      9.6      9.2     5.9
   22   7   5   4  35.662  71.325  1.32122       57.0      1.5      1.4     5.9
   23   9   4   1  37.471  74.943  1.26615       75.6      2.0      1.9     6.0
   24   8   6   4  41.444  82.887  1.16377      669.7     17.6     16.3     6.1
   25  10   4   2  42.314  84.629  1.14421      566.1     14.9     13.7     6.1
   26   8   8   0  44.049  88.098  1.10788      485.2     12.7     11.7     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)