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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OLGITE

3, f-fillowite

(Ba,Sr)(Na,Sr,La)(2)Na[PO(4)](2)


Hexagonal  P 3(-)m1  Z = 1

R =0.258          NR =233

31 .8 .1907

Ref.Str.:

         E. Sokolova, F.C. Hawthorne, A.P. Khomaykov (2005)

         * Canad. Mineral., 43, 1521-1526

Reserv:

         There are U(ij) in the article. The specimen from Lovozero

         alkaline massif, Kola Peninsula, Russia. D.T.N.

                   Initial data from BDM-file 

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

             a =   5.5492   alpha =   90.0 
             b =   5.5492   beta  =   90.0 
             c =   7.0286   gamma =  120.0 

    Unit cell volume (cub. angs.) =   187.44

    Molar volume ( cub.cm/mol.) =   112.9 

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

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

   1 0.0     0.0     0.5      0.0    Ba    = 0.88, Sr    = 0.12
   2 0.3333  0.6667  0.1632   0.0    Na    = 0.62, Sr    = 0.33, La    = 0.05
   3 0.0     0.0     0.0      0.0    Na    = 0.96, Ca    = 0.04
   4 0.3333  0.6667  0.7173   0.0    P     = 1.00
   5 0.3706  0.1853  0.2048   0.0    O     = 1.00
   6 0.3333  0.6667  0.5023   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.5   
     2       2     0.3333     0.6667     0.1632
     3       3     0.0        0.0        0.0   
     4       4     0.3333     0.6667     0.7173
     5       5     0.3706     0.1853     0.2048
     6       6     0.3333     0.6667     0.5023
     7       5     0.8147     0.1853     0.2048
     8       5     0.8147     0.6294     0.2048
     9       2     0.6667     0.3333     0.8368
    10       4     0.6667     0.3333     0.2827
    11       5     0.6294     0.8147     0.7952
    12       6     0.6667     0.3333     0.4977
    13       5     0.1853     0.8147     0.7952
    14       5     0.1853     0.3706     0.7952


X-ray density (g/cm cub.)   =      3.94

MU (1/cm) =     541.833    Mass attenuation coefficient (cm**2/g) =    137.419

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

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

    1   Ba   ,Sr             3.288       12
                                                 2.7344       5
                                                 3.204        6
                                                 3.2036       6
                                                 3.204        6
                                                 2.7344       5
                                                 2.7344       5
                                                 2.7344       5
                                                 3.204        6
                                                 3.2036       6
                                                 3.204        6
                                                 2.7344       5
                                                 2.7344       5
    2   Na   ,Sr   ,La       3.072       10
                                                 2.7954       5
                                                 2.796        5
                                                 2.3834       6
                                                 2.7957       5
                                                 2.7957       5
                                                 2.796        5
                                                 2.7954       5
                                                 2.9521       5
                                                 2.9519       5
                                                 2.9521       5
    3   Na   ,Ca             2.88         6
                                                 2.29         5
                                                 2.2899       5
                                                 2.29         5
                                                 2.29         5
                                                 2.2899       5
                                                 2.29         5
    4    P                   2.232        4
                                                 1.5111       6
                                                 1.5247       5
                                                 1.5243       5
                                                 1.5247       5
    5    O                   3.264        5
                                                 2.4644       5
                                                 3.0848       5
                                                 2.4644       5
                                                 3.0848       5
                                                 2.5026       6
    6    O                   3.264        6
                                                 2.5026       5
                                                 3.2037       6
                                                 3.2046       6
                                                 3.2037       6
                                                 2.5024       5
                                                 2.5026       5

  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  6.292  12.584   0.071  163.55    2       25.9      622.3
    2   1   0   0  9.223  18.447   0.104   74.92    6       19.0      464.0
    3   1   0  -1 11.196  22.392   0.126   50.15    6       44.6     1701.2
    4   1   0   1 11.196  22.392   0.126   50.15    6       28.5      697.8
    5   0   0   2 12.661  25.322   0.142   38.77    2        5.1        5.6
    6   1   0  -2 15.756  31.512   0.176   24.33    6       91.8     3498.7
    7   1   0   2 15.756  31.512   0.176   24.33    6       35.4      522.0
    8   1   1   0 16.118  32.236   0.18    23.17    6      111.0     4877.5
    9   1   1   1 17.366  34.731   0.194   19.71   12       34.1      781.2
   10   2   0   0 18.697  37.394   0.208   16.76    6        1.0        0.3
   11   0   0   3 19.195  38.389   0.213   15.81    2       89.5      721.0
   12   2   0  -1 19.803  39.605   0.22    14.76    6       69.9     1232.9
   13   2   0   1 19.803  39.605   0.22    14.76    6        5.2        6.7
   14   1   1   2 20.715  41.429   0.23    13.35   12       32.7      487.3
   15   1   0  -3 21.455  42.909   0.237   12.34    6        6.3        8.3
   16   1   0   3 21.455  42.909   0.237   12.34    6       39.3      325.6
   17   2   0  -2 22.851  45.702   0.252   10.71    6       25.5      119.1
   18   2   0   2 22.851  45.702   0.252   10.71    6      113.4     2351.3
   19   2   1   0 25.092  50.184   0.275    8.66   12       27.0      215.1
   20   1   1   3 25.487  50.974   0.279    8.35   12       52.1      774.6
   21   2   1  -1 25.976  51.953   0.284    8.0    12       24.2      160.7
   22   2   1   1 25.976  51.953   0.284    8.0    12       31.5      271.0
   23   0   0   4 26.0    52.0     0.285    7.98    2       59.1      158.6
   24   2   0  -3 27.335  54.67    0.298    7.12    6        6.7        5.4
   25   2   0   3 27.335  54.67    0.298    7.12    6        5.6        3.9
   26   1   0  -4 27.824  55.647   0.303    6.84    6       18.3       39.1
   27   1   0   4 27.824  55.647   0.303    6.84    6       64.8      490.4
   28   2   1  -2 28.513  57.027   0.31     6.47   12       71.7     1135.1
   29   2   1   2 28.513  57.027   0.31     6.47   12       18.0       71.8
   30   3   0   0 28.741  57.482   0.312    6.36    6       87.6      833.9
   31   3   0  -1 29.55   59.1     0.32     5.97    6       17.1       29.8
   32   3   0   1 29.55   59.1     0.32     5.97    6       37.0      139.6
   33   1   1   4 31.257  62.515   0.337    5.27   12       41.2      305.3
   34   3   0  -2 31.901  63.801   0.343    5.04    6       31.6       86.0
   35   3   0   2 31.901  63.801   0.343    5.04    6       21.3       38.9
   36   2   1  -3 32.452  64.904   0.348    4.86   12        6.7        7.5
   37   2   1   3 32.452  64.904   0.348    4.86   12       36.3      218.4
   38   2   0  -4 32.893  65.786   0.353    4.72    6       79.0      502.2
   39   2   0   4 32.893  65.786   0.353    4.72    6       10.7        9.2
   40   0   0   5 33.227  66.455   0.356    4.62    2       16.6        7.2
   41   2   2   0 33.727  67.454   0.36     4.47    6      106.5      866.4
   42   2   2   1 34.468  68.936   0.367    4.28   12       18.2       48.5
   43   1   0  -5 34.815  69.629   0.371    4.19    6       50.1      179.8
   44   1   0   5 34.815  69.629   0.371    4.19    6        8.8        5.5
   45   3   1   0 35.304  70.607   0.375    4.07   12       13.7       26.0
   46   3   0  -3 35.627  71.254   0.378    4.0     6       49.3      165.9
   47   3   0   3 35.627  71.254   0.378    4.0     6       37.8       97.8
   48   3   1  -1 36.03   72.06    0.382    3.91   12       29.0      112.8
   49   3   1   1 36.03   72.06    0.382    3.91   12       27.0       97.1
   50   2   2   2 36.651  73.301   0.387    3.79   12        4.3        2.4
   51   2   1  -4 37.584  75.167   0.396    3.61   12       13.9       23.9
   52   2   1   4 37.584  75.167   0.396    3.61   12       64.7      516.1
   53   1   1   5 37.899  75.798   0.399    3.56   12       40.5      199.6
   54   3   1  -2 38.176  76.352   0.401    3.52   12       25.0       75.0
   55   3   1   2 38.176  76.352   0.401    3.52   12       69.8      584.3
   56   2   0  -5 39.408  78.817   0.412    3.33    6        4.5        1.2
   57   2   0   5 39.408  78.817   0.412    3.33    6       53.3      161.9
   58   4   0   0 39.876  79.753   0.416    3.27    6        7.1        2.8
   59   2   2   3 40.186  80.373   0.419    3.23   12       57.1      359.3
   60   4   0  -1 40.574  81.148   0.422    3.19    6       12.2        8.1
   61   4   0   1 40.574  81.148   0.422    3.19    6       44.8      109.4
   62   3   0  -4 40.593  81.186   0.422    3.18    6       28.8       45.0
   63   3   0   4 40.593  81.186   0.422    3.18    6       42.7       98.9
   64   0   0   6 41.114  82.227   0.427    3.13    2       62.2       68.8
   65   3   1  -3 41.674  83.347   0.432    3.07   12       28.5       85.2
   66   3   1   3 41.674  83.347   0.432    3.07   12        0.2        0.0
   67   1   0  -6 42.595  85.189   0.439    2.99    6       27.4       38.2
   68   1   0   6 42.595  85.189   0.439    2.99    6       19.4       19.2
   69   4   0  -2 42.654  85.307   0.44     2.98    6       79.2      319.2
   70   4   0   2 42.654  85.307   0.44     2.98    6       20.2       20.8
   71   2   1  -5 43.859  87.719   0.45     2.89   12       38.8      148.6
   72   2   1   5 43.859  87.719   0.45     2.89   12       12.1       14.6
   73   3   2   0 44.319  88.639   0.454    2.87   12        8.2        6.6


  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   6.292  12.584  7.0286       622.3     12.8     12.9     5.6
    2   1   0   0   9.223  18.447  4.80575      464.0      9.5      9.6     5.6
    3   1   0   1  11.196  22.392  3.96709     2399.0     49.2     49.6     5.6
    4   1   0   2  15.756  31.512  2.83674     4020.6     82.4     82.5     5.6
    5   1   1   0  16.118  32.236  2.7746      4877.5    100.0    100.0     5.6
    6   1   1   1  17.366  34.731  2.58079      781.2     16.0     16.0     5.7
    7   0   0   3  19.195  38.389  2.34287      721.0     14.8     14.7     5.7
    8   2   0   1  19.803  39.605  2.27368     1239.7     25.4     25.2     5.7
    9   1   1   2  20.715  41.429  2.17769      487.3     10.0      9.9     5.7
   10   1   0   3  21.455  42.909  2.10594      333.9      6.8      6.8     5.7
   11   2   0   2  22.851  45.702  1.98354     2470.4     50.6     50.0     5.7
   12   2   1   0  25.092  50.184  1.8164       215.1      4.4      4.3     5.7
   13   1   1   3  25.487  50.974  1.79006      774.6     15.9     15.6     5.8
   14   2   1   1  25.976  51.953  1.75863      590.3     12.1     11.9     5.8
   15   1   0   4  27.824  55.647  1.6503       529.5     10.9     10.6     5.8
   16   2   1   2  28.513  57.027  1.61361     1206.9     24.7     24.1     5.8
   17   3   0   0  28.741  57.482  1.60192      833.9     17.1     16.6     5.8
   18   3   0   1  29.55   59.1    1.56186      169.4      3.5      3.4     5.8
   19   1   1   4  31.257  62.515  1.4845       305.3      6.3      6.0     5.8
   20   3   0   2  31.901  63.801  1.45763      124.9      2.6      2.5     5.9
   21   2   1   3  32.452  64.904  1.43551      225.9      4.6      4.5     5.9
   22   2   0   4  32.893  65.786  1.41837      511.4     10.5     10.1     5.9
   23   2   2   0  33.727  67.454  1.3873       866.4     17.8     17.0     5.9
   24   1   0   5  34.815  69.629  1.34919      185.3      3.8      3.6     5.9
   25   3   0   3  35.627  71.254  1.32236      263.7      5.4      5.1     5.9
   26   3   1   1  36.03   72.06   1.30954      209.8      4.3      4.1     5.9
   27   2   1   4  37.584  75.167  1.26292      540.0     11.1     10.4     6.0
   28   1   1   5  37.899  75.798  1.25397      199.6      4.1      3.9     6.0
   29   3   1   2  38.176  76.352  1.24625      659.4     13.5     12.7     6.0
   30   2   0   5  39.408  78.817  1.21334      163.1      3.3      3.1     6.0
   31   2   2   3  40.186  80.373  1.19372      359.3      7.4      6.9     6.0
   32   3   0   4  40.593  81.186  1.18381      261.4      5.4      5.0     6.1
   33   0   0   6  41.114  82.227  1.17143       68.8      1.4      1.3     6.1
   34   3   1   3  41.674  83.347  1.15852       85.2      1.7      1.6     6.1
   35   1   0   6  42.595  85.189  1.13811       57.4      1.2      1.1     6.1
   36   4   0   2  42.654  85.307  1.13684      340.0      7.0      6.4     6.1
   37   2   1   5  43.859  87.719  1.11169      163.2      3.3      3.1     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)