Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

                            ***

          ***      W W W - X R A Y P O L       ***
                  ***********************
MONTROSEITE

1, t-diaspore, f-diaspore, g-diaspore

(V,Fe)O(OH)


Orthorhombic  P bnm  Z = 4

Pbnm

12 .5 .1988

Ref.Str.:

         Evans H.T., Mrose M.E. (1955)

         * Amer. Mineral., 40, 861-875

Ref.Composition & Lattice:

         Weeks Alice D., Cisney Evelyn A., Sherwood A.M. (1953)

         * Amer.Mineral., 38, 1235-1241

                   Initial data from BDM-file 

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

             a =   4.82     alpha =   90.0 
             b =   9.48     beta  =   90.0 
             c =   2.93     gamma =   90.0 

    Unit cell volume (cub. angs.) =   133.88

    Molar volume ( cub.cm/mol.) =    20.16

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

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

   1 0.9483  0.1455  0.25     0.0    V     = 1.00
   2 0.301   0.803   0.25     0.0    O     = 1.00
   3 0.802   0.946   0.25     0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.9483     0.1455     0.25  
     2       2     0.301      0.803      0.25  
     3       3     0.802      0.946      0.25  
     4       1     0.0517     0.8545     0.75  
     5       2     0.699      0.197      0.75  
     6       3     0.198      0.054      0.75  
     7       1     0.5517     0.6455     0.25  
     8       2     0.199      0.303      0.25  
     9       3     0.698      0.446      0.25  
    10       1     0.4483     0.3545     0.75  
    11       2     0.801      0.697      0.75  
    12       3     0.302      0.554      0.75  


X-ray density (g/cm cub.)   =      4.11

MU (1/cm) =     894.824    Mass attenuation coefficient (cm**2/g) =    217.537

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

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

    1    V                   2.496        6
                                                 2.0184       3
                                                 1.9567       2
                                                 1.9567       2
                                                 2.085        3
                                                 2.085        3
                                                 1.9208       2
    2    O                   3.264       12
                                                 2.93         2
                                                 2.93         2
                                                 2.7693       3
                                                 2.7609       3
                                                 2.8381       3
                                                 2.8381       3
                                                 2.994        2
                                                 2.994        2
                                                 2.994        2
                                                 2.994        2
                                                 2.7782       3
                                                 2.7782       3
    3    O                   3.264       10
                                                 2.7609       2
                                                 2.7693       2
                                                 2.93         3
                                                 2.93         3
                                                 2.8381       2
                                                 2.8381       2
                                                 2.6149       3
                                                 2.6149       3
                                                 2.7782       2
                                                 2.7782       2

  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 10.877  21.754   0.105   53.26    2       17.8      187.3
    2   1   1   0 12.016  24.032   0.116   43.27    4       44.9     1946.8
    3   1   2   0 15.347  30.694   0.148   25.75    4       20.1      231.5
    4   1   3   0 19.783  39.567   0.189   14.79    4       45.0      669.1
    5   1   0   1 20.932  41.863   0.2     13.04    4       19.9      114.9
    6   0   2   1 21.032  42.064   0.201   12.9     4       32.3      300.8
    7   1   1   1 21.685  43.37    0.207   12.05    8       50.7     1382.5
    8   2   0   0 21.786  43.573   0.207   11.92    2       14.2       26.8
    9   0   4   0 22.173  44.347   0.211   11.46    2       43.9      246.2
   10   2   1   0 22.517  45.033   0.214   11.07    4       12.9       41.1
   11   1   2   1 23.83   47.661   0.226    9.73    8       25.9      291.1
   12   2   2   0 24.605  49.21    0.233    9.05    4       11.9       28.8
   13   1   4   0 24.87   49.741   0.235    8.83    4       46.7      429.8
   14   1   3   1 27.116  54.233   0.255    7.26    8       13.1       55.6
   15   2   3   0 27.825  55.649   0.261    6.84    4       10.0       15.3
   16   0   4   1 29.04   58.08    0.271    6.21    4       28.2      110.3
   17   2   1   1 29.323  58.647   0.274    6.08    8       34.7      326.3
   18   1   5   0 30.461  60.921   0.283    5.58    4       13.6       23.0
   19   2   2   1 31.083  62.167   0.289    5.34    8       59.7      848.0
   20   1   4   1 31.311  62.622   0.291    5.25    8       15.8       58.5
   21   2   4   0 31.96   63.92    0.296    5.02    4       44.0      217.1
   22   2   3   1 33.899  67.798   0.312    4.43    8       32.8      212.0
   23   3   1   0 34.378  68.757   0.316    4.3     4       10.2       10.1
   24   0   6   0 34.48   68.959   0.316    4.27    2       36.6       63.8
   25   3   2   0 36.003  72.006   0.329    3.92    4       41.6      151.5
   26   1   5   1 36.283  72.565   0.331    3.86    8       53.9      499.7
   27   1   6   0 36.566  73.133   0.333    3.8     4       11.6       11.3
   28   2   5   0 36.888  73.777   0.336    3.74    4       38.8      125.8
   29   0   0   2 37.629  75.259   0.341    3.61    2       79.7      255.3
   30   2   4   1 37.665  75.331   0.342    3.6     8       20.0       64.5
   31   3   3   0 38.649  77.298   0.349    3.44    4       41.8      134.0
   32   3   0   1 39.414  78.829   0.355    3.33    4       41.4      127.4
   33   0   2   2 39.721  79.442   0.357    3.29    4       12.7       11.9
   34   3   1   1 39.933  79.867   0.359    3.26    8       15.2       33.7
   35   0   6   1 40.029  80.059   0.36     3.25    4       59.8      259.4
   36   1   1   2 40.171  80.342   0.361    3.23    8       31.2      140.5
   37   3   2   1 41.481  82.962   0.37     3.09    8       21.8       65.5
   38   1   2   2 41.717  83.433   0.372    3.06    8       14.8       29.9
   39   1   6   1 42.022  84.044   0.374    3.04    8        0.1        0.0
   40   3   4   0 42.267  84.534   0.376    3.01    4        5.4        1.9
   41   2   5   1 42.332  84.664   0.376    3.01    8        2.6        0.9
   42   2   6   0 42.604  85.208   0.378    2.99    4       26.8       48.0
   43   1   7   0 43.318  86.635   0.383    2.93    4       44.5      129.4
   44   3   3   1 44.04   88.08    0.389    2.88    8       24.5       77.3
   45   1   3   2 44.274  88.548   0.39     2.87    8       35.4      160.8


  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  10.877  21.754  4.74         187.3      9.6      9.6     5.6
    2   1   1   0  12.016  24.032  4.29654     1946.8    100.0    100.0     5.6
    3   1   2   0  15.347  30.694  3.37962      231.5     11.9     11.8     5.6
    4   1   3   0  19.783  39.567  2.6427       669.1     34.4     33.9     5.7
    5   1   0   1  20.932  41.863  2.5037       114.9      5.9      5.8     5.7
    6   0   2   1  21.032  42.064  2.49229      300.8     15.5     15.2     5.7
    7   1   1   1  21.685  43.37   2.4207      1382.5     71.0     69.8     5.7
    8   2   0   0  21.786  43.573  2.41          26.8      1.4      1.4     5.7
    9   0   4   0  22.173  44.347  2.37         246.2     12.6     12.4     5.7
   10   2   1   0  22.517  45.033  2.33571       41.1      2.1      2.1     5.7
   11   1   2   1  23.83   47.661  2.21384      291.1     15.0     14.6     5.7
   12   2   2   0  24.605  49.21   2.14827       28.8      1.5      1.4     5.7
   13   1   4   0  24.87   49.741  2.12681      429.8     22.1     21.5     5.7
   14   1   3   1  27.116  54.233  1.9624        55.6      2.9      2.8     5.8
   15   0   4   1  29.04   58.08   1.84266      110.3      5.7      5.5     5.8
   16   2   1   1  29.323  58.647  1.8264       326.3     16.8     16.2     5.8
   17   1   5   0  30.461  60.921  1.7644        23.0      1.2      1.1     5.8
   18   2   2   1  31.083  62.167  1.73249      848.0     43.6     41.8     5.8
   19   1   4   1  31.311  62.622  1.72117       58.5      3.0      2.9     5.8
   20   2   4   0  31.96   63.92   1.68981      217.1     11.2     10.7     5.9
   21   2   3   1  33.899  67.798  1.60375      212.0     10.9     10.4     5.9
   22   0   6   0  34.48   68.959  1.58          63.8      3.3      3.1     5.9
   23   3   2   0  36.003  72.006  1.52163      151.5      7.8      7.3     5.9
   24   1   5   1  36.283  72.565  1.5115       499.7     25.7     24.2     6.0
   25   2   5   0  36.888  73.777  1.49013      125.8      6.5      6.1     6.0
   26   0   0   2  37.629  75.259  1.465        255.3     13.1     12.3     6.0
   27   2   4   1  37.665  75.331  1.46381       64.5      3.3      3.1     6.0
   28   3   3   0  38.649  77.298  1.43218      134.0      6.9      6.4     6.0
   29   3   0   1  39.414  78.829  1.40877      127.4      6.5      6.1     6.0
   30   3   1   1  39.933  79.867  1.39346       33.7      1.7      1.6     6.0
   31   0   6   1  40.029  80.059  1.39069      259.4     13.3     12.4     6.0
   32   1   1   2  40.171  80.342  1.38661      140.5      7.2      6.7     6.0
   33   3   2   1  41.481  82.962  1.35039       65.5      3.4      3.1     6.1
   34   1   2   2  41.717  83.433  1.34415       29.9      1.5      1.4     6.1
   35   2   6   0  42.604  85.208  1.32135       48.0      2.5      2.3     6.1
   36   1   7   0  43.318  86.635  1.3038       129.4      6.6      6.1     6.1
   37   3   3   1  44.04   88.08   1.28669       77.3      4.0      3.6     6.2
   38   1   3   2  44.274  88.548  1.28129      160.8      8.3      7.5     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)