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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MARICITE

1, f-natrophilite

NaFePO(4)


Orthorhombic  P mnb  Z = 4

R =0.03          NR =520

12 .1 .1990

Ref.Str.:

         Page Y., Donnay G. (1977)

         * Canad. Mineral., v.15, 518-521

                   Initial data from BDM-file 

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

             a =   6.861    alpha =   90.0 
             b =   8.987    beta  =   90.0 
             c =   5.045    gamma =   90.0 

    Unit cell volume (cub. angs.) =   311.07

    Molar volume ( cub.cm/mol.) =    46.84

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

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

   1 0.25    0.8508  0.5305   0.0    Na    = 1.00
   2 0.0     0.0     0.0      0.0    Fe    = 1.00
   3 0.25    0.176   0.464    0.0    P     = 1.00
   4 0.25    0.1164  0.7521   0.0    O     = 1.00
   5 0.25    0.3492  0.4557   0.0    O     = 1.00
   6 0.0692  0.1213  0.3174   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.25       0.8508     0.5305
     2       2     0.0        0.0        0.0   
     3       3     0.25       0.176      0.464 
     4       4     0.25       0.1164     0.7521
     5       5     0.25       0.3492     0.4557
     6       6     0.0692     0.1213     0.3174
     7       1     0.75       0.1492     0.4695
     8       3     0.75       0.824      0.536 
     9       4     0.75       0.8836     0.2479
    10       5     0.75       0.6508     0.5443
    11       6     0.9308     0.8787     0.6826
    12       2     0.5        0.0        0.0   
    13       6     0.4308     0.1213     0.3174
    14       6     0.5692     0.8787     0.6826
    15       1     0.75       0.6492     0.0305
    16       2     0.5        0.5        0.5   
    17       3     0.75       0.324      0.964 
    18       4     0.75       0.3836     0.2521
    19       5     0.75       0.1508     0.9557
    20       6     0.5692     0.3787     0.8174
    21       1     0.25       0.3508     0.9695
    22       3     0.25       0.676      0.036 
    23       4     0.25       0.6164     0.7479
    24       5     0.25       0.8492     0.0443
    25       6     0.4308     0.6213     0.1826
    26       2     0.0        0.5        0.5   
    27       6     0.9308     0.3787     0.8174
    28       6     0.0692     0.6213     0.1826


X-ray density (g/cm cub.)   =      3.71

MU (1/cm) =     185.447    Mass attenuation coefficient (cm**2/g) =     49.986

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

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

    1    Na                  2.808        6
                                                 2.6358       4
                                                 2.3341       6
                                                 2.3341       6
                                                 2.375        4
                                                 2.5922       5
                                                 2.4529       5
    2    Fe                  2.592        6
                                                 2.3665       4
                                                 1.9945       6
                                                 2.3665       4
                                                 1.9945       6
                                                 2.1974       5
                                                 2.1974       5
    3    P                   2.232        4
                                                 1.549        4
                                                 1.5571       5
                                                 1.5256       6
                                                 1.5256       6
    4    O                   3.264       10
                                                 2.5716       5
                                                 3.1103       6
                                                 2.52         6
                                                 3.0794       6
                                                 3.1103       6
                                                 2.52         6
                                                 3.0794       6
                                                 3.2344       6
                                                 2.8177       5
                                                 3.2344       6
    5    O                   3.264        8
                                                 2.5716       4
                                                 2.4941       6
                                                 2.4941       6
                                                 2.8629       6
                                                 2.8177       4
                                                 3.0687       6
                                                 2.8629       6
                                                 3.0687       6
    6    O                   3.264        9
                                                 2.52         4
                                                 3.1103       4
                                                 2.4941       5
                                                 3.0794       4
                                                 3.0083       6
                                                 2.4809       6
                                                 3.2344       4
                                                 2.8629       5
                                                 3.0687       5

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   0   2   0 11.482  22.964   0.111   47.59    2       47.6      223.3
    2   0   1   1 11.731  23.463   0.114   45.5     4       47.6      426.5
    3   1   0   1 12.713  25.426   0.123   38.43    4        5.2        4.3
    4   1   2   0 13.765  27.531   0.133   32.48    4       27.5      101.8
    5   1   1   1 13.977  27.954   0.135   31.45    8       40.0      416.3
    6   2   0   0 15.114  30.228   0.146   26.61    2       14.0       10.8
    7   0   2   1 15.46   30.92    0.149   25.35    4       29.7       92.2
    8   1   2   1 17.262  34.524   0.166   19.96    8        8.0       10.4
    9   2   2   0 19.15   38.299   0.183   15.9     4      124.8     1023.4
   10   2   1   1 19.308  38.615   0.185   15.61    8       98.4     1248.9
   11   0   3   1 20.32   40.639   0.194   13.94    4      143.6     1187.4
   12   0   0   2 20.768  41.537   0.198   13.27    2      115.4      365.3
   13   0   1   2 21.611  43.221   0.206   12.14    4       58.6      172.4
   14   1   3   1 21.772  43.545   0.207   11.94    8        5.6        3.1
   15   2   2   1 21.894  43.787   0.208   11.79    8       40.0      155.9
   16   1   1   2 22.997  45.995   0.218   10.55    8        4.2        1.5
   17   0   4   0 23.46   46.921   0.223   10.09    2       39.5       32.4
   18   0   2   2 23.994  47.988   0.227    9.58    4       37.6       55.9
   19   1   4   0 24.766  49.532   0.234    8.92    4        0.8        0.0
   20   1   2   2 25.279  50.559   0.239    8.51    8       47.0      155.8
   21   3   0   1 25.431  50.861   0.24     8.4     4       46.7       75.7
   22   2   3   1 25.737  51.475   0.243    8.17    8       34.5       80.2
   23   0   4   1 25.837  51.673   0.244    8.1     4        9.1        2.8
   24   3   2   0 26.03   52.061   0.245    7.96    4       35.9       42.4
   25   2   0   2 26.113  52.225   0.246    7.91    4        2.1        0.1
   26   3   1   1 26.155  52.31    0.246    7.88    8       12.8       10.7
   27   2   1   2 26.824  53.648   0.252    7.44    8       19.5       23.3
   28   1   4   1 27.058  54.116   0.254    7.29    8        2.2        0.3
   29   0   3   2 27.617  55.234   0.259    6.96    4       25.2       18.3
   30   3   2   1 28.249  56.499   0.265    6.61    8        8.3        3.7
   31   2   4   0 28.418  56.836   0.266    6.52    4      114.9      355.8
   32   1   3   2 28.786  57.573   0.269    6.34    8        3.8        0.8
   33   2   2   2 28.885  57.77    0.27     6.29    8      104.5      567.1
   34   2   4   1 30.521  61.041   0.284    5.56    8       13.4        8.2
   35   4   0   0 31.431  62.862   0.292    5.21    2      158.9      271.8
   36   3   3   1 31.535  63.07    0.292    5.17    8       20.3       17.6
   37   0   5   1 31.889  63.779   0.295    5.04    4       54.6       62.1
   38   2   3   2 32.131  64.262   0.297    4.96    8        8.4        2.9
   39   0   4   2 32.217  64.435   0.298    4.93    4       64.0       83.5
   40   3   1   2 32.495  64.989   0.3      4.84    8       21.2       17.9
   41   0   1   3 32.76   65.52    0.302    4.76    4       69.4       94.8
   42   1   5   1 32.965  65.93    0.304    4.7     8       14.9        8.6
   43   1   0   3 33.205  66.41    0.306    4.62    4       30.5       17.8
   44   1   4   2 33.287  66.575   0.307    4.6     8       11.0        4.6
   45   1   1   3 33.821  67.643   0.311    4.45    8        5.6        1.2
   46   3   4   0 33.923  67.847   0.312    4.42    4        7.0        0.9
   47   4   2   0 33.93   67.859   0.312    4.42    4       33.7       20.7
   48   4   1   1 34.036  68.072   0.313    4.39    8       45.6       75.5
   49   3   2   2 34.347  68.694   0.315    4.31    8        7.4        2.0
   50   0   2   3 34.605  69.21    0.317    4.24    4       26.0       11.8
   51   1   2   3 35.64   71.28    0.326    4.0     8       10.3        3.5
   52   3   4   1 35.843  71.686   0.327    3.95    8       39.5       51.1
   53   4   2   1 35.849  71.699   0.327    3.95    8       12.7        5.3
   54   2   5   1 36.095  72.189   0.329    3.9     8       92.2      273.9
   55   2   4   2 36.404  72.808   0.332    3.84    8       99.2      312.0
   56   0   6   0 36.667  73.335   0.334    3.78    2      117.2      107.4
   57   2   1   3 36.917  73.835   0.336    3.74    8       94.4      275.0
   58   3   3   2 37.337  74.675   0.339    3.66    8       15.7        7.4
   59   0   3   3 37.587  75.174   0.341    3.61    4       80.0       95.5
   60   0   5   2 37.665  75.331   0.342    3.6     4       40.2       24.0
   61   1   6   0 37.679  75.358   0.342    3.6     4        9.1        1.2
   62   0   6   1 38.531  77.061   0.348    3.46    4       10.3        1.5
   63   1   3   3 38.59   77.18    0.349    3.45    8       16.4        7.6
   64   1   5   2 38.668  77.335   0.349    3.44    8        3.0        0.3
   65   2   2   3 38.676  77.351   0.349    3.44    8       38.4       41.8
   66   4   3   1 38.794  77.587   0.35     3.42    8      100.4      284.8
   67   4   0   2 39.095  78.191   0.353    3.38    4      113.1      178.5
   68   1   6   1 39.526  79.052   0.356    3.32    8        9.1        2.3
   69   4   1   2 39.674  79.348   0.357    3.3     8       23.5       15.0
   70   2   6   0 40.663  81.326   0.364    3.18    4        1.6        0.0
   71   4   4   0 41.001  82.002   0.367    3.14    4       11.5        1.7
   72   3   5   1 41.094  82.189   0.367    3.13    8        3.9        0.4
   73   3   0   3 41.315  82.631   0.369    3.1     4       37.3       17.9
   74   3   4   2 41.392  82.784   0.37     3.1     8        9.1        2.1
   75   4   2   2 41.398  82.796   0.37     3.1     8       30.4       23.7
   76   2   3   3 41.556  83.113   0.371    3.08    8       13.4        4.6
   77   2   5   2 41.633  83.266   0.371    3.07    8       17.3        7.6
   78   0   4   3 41.635  83.269   0.371    3.07    4       18.1        4.2
   79   3   1   3 41.887  83.774   0.373    3.05    8       29.9       22.5
   80   2   6   1 42.477  84.955   0.377    3.0     8       28.8       20.6
   81   5   0   1 42.495  84.99    0.378    2.99    4       12.5        1.9
   82   1   4   3 42.613  85.227   0.378    2.98    8       12.1        3.6
   83   4   4   1 42.813  85.626   0.38     2.97    8       10.1        2.5
   84   5   2   0 42.966  85.931   0.381    2.96    4       24.4        7.3
   85   5   1   1 43.064  86.128   0.382    2.95    8       24.5       14.7
   86   3   2   3 43.595  87.191   0.385    2.91    8        9.1        2.0
   87   0   6   2 43.988  87.977   0.388    2.89    4      113.9      154.9
   88   4   3   2 44.245  88.49    0.39     2.87    8        0.2        0.0
   89   5   2   1 44.768  89.537   0.394    2.84    8        4.4        0.4
   90   1   6   2 44.962  89.925   0.395    2.83    8       46.1       49.7


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (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   2   0  11.482  22.964  4.4935       223.3     17.9     18.1     5.6
    2   0   1   1  11.731  23.463  4.39923      426.5     34.2     34.6     5.6
    3   1   2   0  13.765  27.531  3.75905      101.8      8.2      8.2     5.6
    4   1   1   1  13.977  27.954  3.70334      416.3     33.3     33.6     5.6
    5   0   2   1  15.46   30.92   3.35549       92.2      7.4      7.4     5.6
    6   2   2   0  19.15   38.299  2.72671     1023.4     81.9     82.0     5.7
    7   2   1   1  19.308  38.615  2.70522     1248.9    100.0    100.0     5.7
    8   0   3   1  20.32   40.639  2.57579     1187.4     95.1     94.9     5.7
    9   0   0   2  20.768  41.537  2.5225       365.3     29.2     29.2     5.7
   10   0   1   2  21.611  43.221  2.42865      172.4     13.8     13.7     5.7
   11   2   2   1  21.894  43.787  2.39877      155.9     12.5     12.4     5.7
   12   0   4   0  23.46   46.921  2.24675       32.4      2.6      2.6     5.7
   13   0   2   2  23.994  47.988  2.19961       55.9      4.5      4.4     5.7
   14   1   2   2  25.279  50.559  2.0946       155.8     12.5     12.3     5.8
   15   3   0   1  25.431  50.861  2.08297       75.7      6.1      6.0     5.8
   16   2   3   1  25.737  51.475  2.05979       80.2      6.4      6.3     5.8
   17   3   2   0  26.03   52.061  2.0382        42.4      3.4      3.3     5.8
   18   2   1   2  26.824  53.648  1.98219       23.3      1.9      1.8     5.8
   19   0   3   2  27.617  55.234  1.92954       18.3      1.5      1.4     5.8
   20   2   4   0  28.418  56.836  1.87952      355.8     28.5     27.9     5.8
   21   2   2   2  28.885  57.77   1.85167      567.1     45.4     44.4     5.8
   22   4   0   0  31.431  62.862  1.71525      271.8     21.8     21.1     5.9
   23   3   3   1  31.535  63.07   1.71018       17.6      1.4      1.4     5.9
   24   0   5   1  31.889  63.779  1.69315       62.1      5.0      4.8     5.9
   25   0   4   2  32.217  64.435  1.67775       83.5      6.7      6.5     5.9
   26   3   1   2  32.495  64.989  1.66498       17.9      1.4      1.4     5.9
   27   0   1   3  32.76   65.52   1.65298       94.8      7.6      7.3     5.9
   28   1   0   3  33.205  66.41   1.63332       17.8      1.4      1.4     5.9
   29   4   2   0  33.93   67.859  1.60247       20.7      1.7      1.6     5.9
   30   4   1   1  34.036  68.072  1.59808       75.5      6.0      5.8     5.9
   31   3   4   1  35.843  71.686  1.5275        56.4      4.5      4.3     5.9
   32   2   5   1  36.095  72.189  1.51829      273.9     21.9     20.9     5.9
   33   2   4   2  36.404  72.808  1.50715      312.0     25.0     23.8     6.0
   34   0   6   0  36.667  73.335  1.49783      107.4      8.6      8.2     6.0
   35   2   1   3  36.917  73.835  1.48912      275.0     22.0     21.0     6.0
   36   0   3   3  37.587  75.174  1.46641       95.5      7.6      7.3     6.0
   37   0   5   2  37.665  75.331  1.46381       25.2      2.0      1.9     6.0
   38   2   2   3  38.676  77.351  1.43134       41.8      3.3      3.2     6.0
   39   4   3   1  38.794  77.587  1.42767      284.8     22.8     21.5     6.0
   40   4   0   2  39.095  78.191  1.4184       178.5     14.3     13.5     6.0
   41   4   1   2  39.674  79.348  1.40106       15.0      1.2      1.1     6.0
   42   3   0   3  41.315  82.631  1.35482       17.9      1.4      1.3     6.1
   43   4   2   2  41.398  82.796  1.35261       25.8      2.1      1.9     6.1
   44   3   1   3  41.887  83.774  1.33968       22.5      1.8      1.7     6.1
   45   2   6   1  42.477  84.955  1.32454       22.5      1.8      1.7     6.1
   46   5   1   1  43.064  86.128  1.30995       14.7      1.2      1.1     6.1
   47   0   6   2  43.988  87.977  1.2879       154.9     12.4     11.4     6.2
   48   1   6   2  44.962  89.925  1.26579       49.7      4.0      3.6     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)