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

1, f-fillowite, DF

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


Hexagonal  P 3  Z = 1

P3

12 .12 .1989

Ref.Str.:

         Sokolova E.V., Egorov-Tismenko Yu.K., Yamnova H.A., Simonov M.A. (1984)

         * Kristallogr., 29, 6, 1079-1083

                   Initial data from BDM-file 

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

             a =   5.565    alpha =   90.0 
             b =   5.565    beta  =   90.0 
             c =   7.05     gamma =  120.0 

    Unit cell volume (cub. angs.) =   189.08

    Molar volume ( cub.cm/mol.) =   113.89

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

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

   1 0.0     0.0     0.0      1.96   Sr    = 0.52, Ba    = 0.48
   2 0.6667  0.3333  0.3268   1.7    Sr    = 0.58, Na    = 0.42
   3 0.3333  0.6667  0.649    0.5    Na    = 0.81, Sr    = 0.19
   4 0.0     0.0     0.491    1.5    Na    = 1.00
   5 0.3333  0.6667  0.214    0.6    P     = 0.76, P     = 0.0 
   6 0.6667  0.3333  0.7778   0.5    P     = 1.00
   7 0.823   0.191   0.691    2.2    O     = 0.8 , O     = 0.0 
   8 0.198   0.816   0.291    2.2    O     = 1.00
   9 0.3333  0.6667  0.996    1.7    O     = 0.88, O     = 0.0 
  10 0.6667  0.3333  0.993    1.6    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.0   
     2       2     0.6667     0.3333     0.3268
     3       3     0.3333     0.6667     0.649 
     4       4     0.0        0.0        0.491 
     5       5     0.3333     0.6667     0.214 
     6       6     0.6667     0.3333     0.7778
     7       7     0.823      0.191      0.691 
     8       8     0.198      0.816      0.291 
     9       9     0.3333     0.6667     0.996 
    10      10     0.6667     0.3333     0.993 
    11       7     0.809      0.632      0.691 
    12       7     0.368      0.177      0.691 
    13       8     0.184      0.382      0.291 
    14       8     0.618      0.802      0.291 


X-ray density (g/cm cub.)   =      3.52

MU (1/cm) =     375.801    Mass attenuation coefficient (cm**2/g) =    106.692

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

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

    1   Sr   ,Ba             3.288       12
                                                 2.8094       7
                                                 2.7568       8
                                                 3.2131       9
                                                 3.213        9
                                                 3.2131       9
                                                 3.2133      10
                                                 3.2133      10
                                                 3.2133      10
                                                 2.8094       7
                                                 2.8094       7
                                                 2.7567       8
                                                 2.7567       8
    2   Sr   ,Na             3.072       10
                                                 2.9438       7
                                                 2.8424       8
                                                 2.7651       8
                                                 2.3533      10
                                                 2.9438       7
                                                 2.9438       7
                                                 2.7651       8
                                                 2.8424       8
                                                 2.7651       8
                                                 2.8424       8
    3   Na   ,Sr             3.072       10
                                                 2.8419       7
                                                 2.7645       7
                                                 2.8729       8
                                                 2.4464       9
                                                 2.7646       7
                                                 2.8418       7
                                                 2.7645       7
                                                 2.8419       7
                                                 2.873        8
                                                 2.873        8
    4    Na                  2.808        6
                                                 2.2661       7
                                                 2.3193       8
                                                 2.2661       7
                                                 2.2661       7
                                                 2.3192       8
                                                 2.3192       8
    5   P    ,P              2.232        4
                                                 1.4759       8
                                                 1.5369       9
                                                 1.476        8
                                                 1.476        8
    6    P                   2.232        4
                                                 1.5645       7
                                                 1.5174      10
                                                 1.5645       7
                                                 1.5645       7
    7   O    ,O              3.264        5
                                                 2.5703      10
                                                 2.494        7
                                                 3.0727       7
                                                 3.0727       7
                                                 2.494        7
    8    O                   3.264        5
                                                 2.4918       9
                                                 3.1894       8
                                                 2.3773       8
                                                 2.3773       8
                                                 3.1894       8
    9   O    ,O              3.264        6
                                                 2.4918       8
                                                 3.213       10
                                                 3.2131      10
                                                 3.213       10
                                                 2.4918       8
                                                 2.4918       8
   10    O                   3.264        6
                                                 2.5703       7
                                                 3.213        9
                                                 3.2131       9
                                                 3.213        9
                                                 2.5703       7
                                                 2.5703       7

  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  6.273  12.545   0.071  164.57    2       22.1      449.3
    2   1   0   0  9.197  18.394   0.104   75.36    6       16.4      341.7
    3   1   0  -1 11.163  22.326   0.126   50.46    6       35.7     1076.9
    4   1   0   1 11.163  22.326   0.126   50.46    6       25.2      536.6
    5   0   0   2 12.622  25.244   0.142   39.02    2        7.9       13.6
    6   1   0  -2 15.708  31.416   0.176   24.49    6       79.6     2605.7
    7   1   0   2 15.708  31.416   0.176   24.49    6       30.7      387.6
    8   1   1   0 16.071  32.142   0.18    23.32    6       97.7     3733.0
    9   1   1  -1 17.314  34.628   0.193   19.83    6       26.4      231.8
   10   1   1   1 17.314  34.628   0.193   19.83    6       25.9      222.8
   11   2   0   0 18.642  37.284   0.207   16.87    6       10.7       32.4
   12   0   0   3 19.134  38.268   0.213   15.92    2       75.9      513.0
   13   2   0  -1 19.744  39.487   0.219   14.86    6       56.8      805.2
   14   2   0   1 19.744  39.487   0.219   14.86    6        3.9        3.8
   15   1   1  -2 20.652  41.303   0.229   13.44    6       24.2      132.0
   16   1   1   2 20.652  41.303   0.229   13.44    6       24.6      136.9
   17   1   0  -3 21.387  42.774   0.237   12.43    6       13.0       35.0
   18   1   0   3 21.387  42.774   0.237   12.43    6       28.8      173.0
   19   2   0  -2 22.781  45.562   0.251   10.78    6       20.7       77.4
   20   2   0   2 22.781  45.562   0.251   10.78    6       93.1     1569.2
   21   1   2   0 25.016  50.031   0.274    8.72    6       20.2       59.9
   22   2   1   0 25.016  50.031   0.274    8.72    6       19.8       57.6
   23   1   1  -3 25.407  50.813   0.278    8.42    6       41.2      239.2
   24   1   1   3 25.407  50.813   0.278    8.42    6       41.5      243.4
   25   1   2  -1 25.897  51.794   0.284    8.06    6       24.5       81.2
   26   1   2   1 25.897  51.794   0.284    8.06    6       15.6       32.8
   27   2   1  -1 25.897  51.794   0.284    8.06    6       15.5       32.4
   28   2   1   1 25.897  51.794   0.284    8.06    6       24.5       81.1
   29   0   0   4 25.915  51.83    0.284    8.04    2       44.4       88.5
   30   2   0  -3 27.248  54.496   0.297    7.18    6        4.8        2.8
   31   2   0   3 27.248  54.496   0.297    7.18    6        9.1       10.1
   32   1   0  -4 27.733  55.465   0.302    6.89    6       10.9       13.6
   33   1   0   4 27.733  55.465   0.302    6.89    6       50.6      296.7
   34   1   2  -2 28.424  56.848   0.309    6.52    6       13.4       19.5
   35   1   2   2 28.424  56.848   0.309    6.52    6       57.2      358.2
   36   2   1  -2 28.424  56.848   0.309    6.52    6       57.6      362.7
   37   2   1   2 28.424  56.848   0.309    6.52    6       14.3       22.3
   38   3   0   0 28.652  57.303   0.311    6.4     6       70.4      532.0
   39   3   0  -1 29.457  58.915   0.319    6.01    6        9.8        9.7
   40   3   0   1 29.457  58.915   0.319    6.01    6       25.6       66.0
   41   1   1  -4 31.154  62.308   0.336    5.31    6       31.3       87.5
   42   1   1   4 31.154  62.308   0.336    5.31    6       31.4       88.0
   43   3   0  -2 31.798  63.597   0.342    5.08    6       20.6       36.2
   44   3   0   2 31.798  63.597   0.342    5.08    6       11.6       11.4
   45   1   2  -3 32.346  64.691   0.347    4.89    6       25.1       51.6
   46   1   2   3 32.346  64.691   0.347    4.89    6        5.0        2.0
   47   2   1  -3 32.346  64.691   0.347    4.89    6        6.0        3.0
   48   2   1   3 32.346  64.691   0.347    4.89    6       24.8       50.5
   49   2   0  -4 32.783  65.567   0.351    4.75    6       59.4      281.4
   50   2   0   4 32.783  65.567   0.351    4.75    6       10.1        8.2
   51   0   0   5 33.113  66.227   0.355    4.65    2       12.0        3.7
   52   2   2   0 33.618  67.237   0.359    4.5     6       78.9      470.1
   53   2   2  -1 34.356  68.713   0.366    4.3     6       10.8        8.4
   54   2   2   1 34.356  68.713   0.366    4.3     6       10.5        8.0
   55   1   0  -5 34.694  69.389   0.369    4.22    6       35.3       88.3
   56   1   0   5 34.694  69.389   0.369    4.22    6       13.4       12.8
   57   1   3   0 35.188  70.377   0.374    4.1     6        8.8        5.3
   58   3   1   0 35.188  70.377   0.374    4.1     6        7.4        3.8
   59   3   0  -3 35.508  71.015   0.377    4.03    6       34.4       79.8
   60   3   0   3 35.508  71.015   0.377    4.03    6       26.6       47.7
   61   1   3  -1 35.911  71.823   0.381    3.94    6       16.3       17.5
   62   1   3   1 35.911  71.823   0.381    3.94    6       20.0       26.6
   63   3   1  -1 35.911  71.823   0.381    3.94    6       19.8       25.9
   64   3   1   1 35.911  71.823   0.381    3.94    6       16.6       18.2
   65   2   2  -2 36.529  73.057   0.386    3.81    6        2.1        0.3
   66   2   2   2 36.529  73.057   0.386    3.81    6        2.5        0.4
   67   1   2  -4 37.454  74.908   0.395    3.64    6       45.7      127.6
   68   1   2   4 37.454  74.908   0.395    3.64    6        5.4        1.8
   69   2   1  -4 37.454  74.908   0.395    3.64    6        4.7        1.4
   70   2   1   4 37.454  74.908   0.395    3.64    6       45.7      127.3
   71   1   1  -5 37.766  75.532   0.398    3.58    6       26.6       42.5
   72   1   1   5 37.766  75.532   0.398    3.58    6       26.4       41.9
   73   1   3  -2 38.047  76.094   0.4      3.54    6       51.0      154.4
   74   1   3   2 38.047  76.094   0.4      3.54    6       16.3       15.7
   75   3   1  -2 38.047  76.094   0.4      3.54    6       16.2       15.5
   76   3   1   2 38.047  76.094   0.4      3.54    6       51.0      154.1
   77   2   0  -5 39.268  78.536   0.411    3.35    6        8.8        4.4
   78   2   0   5 39.268  78.536   0.411    3.35    6       36.8       76.4
   79   4   0   0 39.741  79.481   0.415    3.29    6        5.2        1.5
   80   2   2  -3 40.047  80.093   0.418    3.25    6       37.0       74.6
   81   2   2   3 40.047  80.093   0.418    3.25    6       37.1       75.1
   82   4   0  -1 40.435  80.869   0.421    3.2     6        7.5        3.0
   83   4   0   1 40.435  80.869   0.421    3.2     6       27.0       39.1
   84   3   0  -4 40.449  80.898   0.421    3.2     6       20.0       21.4
   85   3   0   4 40.449  80.898   0.421    3.2     6       28.7       44.2
   86   0   0   6 40.962  81.924   0.426    3.14    2       42.5       31.7
   87   1   3  -3 41.526  83.053   0.43     3.08    6        7.0        2.6
   88   1   3   3 41.526  83.053   0.43     3.08    6       17.0       15.0
   89   3   1  -3 41.526  83.053   0.43     3.08    6       17.3       15.5
   90   3   1   3 41.526  83.053   0.43     3.08    6        6.8        2.4
   91   1   0  -6 42.435  84.871   0.438    3.0     6       19.4       19.0
   92   1   0   6 42.435  84.871   0.438    3.0     6        9.5        4.5
   93   4   0  -2 42.503  85.006   0.439    2.99    6       53.1      141.7
   94   4   0   2 42.503  85.006   0.439    2.99    6       11.7        6.9
   95   1   2  -5 43.696  87.393   0.448    2.9     6       15.3       11.4
   96   1   2   5 43.696  87.393   0.448    2.9     6       24.8       29.9
   97   2   1  -5 43.696  87.393   0.448    2.9     6       25.0       30.4
   98   2   1   5 43.696  87.393   0.448    2.9     6       15.1       11.1
   99   2   3   0 44.161  88.322   0.452    2.87    6        4.0        0.8
  100   3   2   0 44.161  88.322   0.452    2.87    6        2.8        0.4
  101   2   3  -1 44.845  89.69    0.458    2.84    6       13.1        8.2
  102   2   3   1 44.845  89.69    0.458    2.84    6       18.0       15.5
  103   3   2  -1 44.845  89.69    0.458    2.84    6       18.3       15.9
  104   3   2   1 44.845  89.69    0.458    2.84    6       12.9        7.9
  105   2   2  -4 44.859  89.718   0.458    2.84    6       25.0       29.8
  106   2   2   4 44.859  89.718   0.458    2.84    6       25.0       29.6


  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   6.273  12.545  7.05         449.3     12.0     12.2     5.6
    2   1   0   0   9.197  18.394  4.81943      341.7      9.2      9.2     5.6
    3   1   0   1  11.163  22.326  3.97863     1613.5     43.2     43.6     5.6
    4   1   0   2  15.708  31.416  2.84518     2993.2     80.2     80.2     5.6
    5   1   1   0  16.071  32.142  2.7825      3733.0    100.0    100.0     5.6
    6   1   1   1  17.314  34.628  2.58821      454.6     12.2     12.2     5.7
    7   0   0   3  19.134  38.268  2.35         513.0     13.7     13.7     5.7
    8   2   0   1  19.744  39.487  2.2802       809.0     21.7     21.5     5.7
    9   1   1   2  20.652  41.303  2.18406      268.9      7.2      7.1     5.7
   10   1   0   3  21.387  42.774  2.11227      208.0      5.6      5.5     5.7
   11   2   0   2  22.781  45.562  1.98931     1646.5     44.1     43.5     5.7
   12   1   2   0  25.016  50.031  1.82157      117.4      3.1      3.1     5.7
   13   1   1   3  25.407  50.813  1.79536      482.6     12.9     12.7     5.8
   14   0   0   4  25.915  51.83   1.7625       316.1      8.5      8.3     5.8
   15   1   0   4  27.733  55.465  1.65528      310.4      8.3      8.1     5.8
   16   2   1   2  28.424  56.848  1.61827      762.7     20.4     19.9     5.8
   17   3   0   0  28.652  57.303  1.60648      532.0     14.3     13.9     5.8
   18   3   0   1  29.457  58.915  1.56633       75.6      2.0      2.0     5.8
   19   1   1   4  31.154  62.308  1.48893      175.5      4.7      4.5     5.8
   20   3   0   2  31.798  63.597  1.46183       47.5      1.3      1.2     5.9
   21   1   2   3  32.346  64.691  1.4397       107.1      2.9      2.8     5.9
   22   2   0   4  32.783  65.567  1.42259      289.6      7.8      7.5     5.9
   23   2   2   0  33.618  67.237  1.39125      470.1     12.6     12.1     5.9
   24   1   0   5  34.694  69.389  1.35327      101.1      2.7      2.6     5.9
   25   3   0   3  35.508  71.015  1.32621      127.6      3.4      3.3     5.9
   26   3   1   1  35.911  71.823  1.31327       88.2      2.4      2.2     5.9
   27   1   2   4  37.454  74.908  1.26665      258.0      6.9      6.5     6.0
   28   1   1   5  37.766  75.532  1.25773       84.4      2.3      2.1     6.0
   29   1   3   2  38.047  76.094  1.24983      339.7      9.1      8.6     6.0
   30   2   0   5  39.268  78.536  1.21697       80.8      2.2      2.0     6.0
   31   2   2   3  40.047  80.093  1.19718      149.7      4.0      3.7     6.0
   32   3   0   4  40.449  80.898  1.18729      107.6      2.9      2.7     6.1
   33   4   0   2  42.503  85.006  1.1401       148.6      4.0      3.7     6.1
   34   2   1   5  43.696  87.393  1.11499       82.8      2.2      2.0     6.2
   35   2   2   4  44.859  89.718  1.09203      106.9      2.9      2.6     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)