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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COSTIBITE

1, f-ullmannite

CoSbS


Orthorhombic  P n2(1)m  Z = 2

Pn2(1)m

23 .3 .1988

Ref.Str.:

         Rowland J.F., Gabe E.J., Hall S.R. (1975)

         * Canad. Mineral., 13, 188-196

                   Initial data from BDM-file 

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

             a =   4.873    alpha =   90.0 
             b =   5.852    beta  =   90.0 
             c =   3.608    gamma =   90.0 

    Unit cell volume (cub. angs.) =   102.89

    Molar volume ( cub.cm/mol.) =    30.99

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

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

   1 0.2806  0.0     0.0      0.0    Co    = 1.00
   2 0.0412  0.374   0.0      0.0    Sb    = 1.00
   3 0.454   0.6337  0.0      0.0    S     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.2806     0.0        0.0   
     2       2     0.0412     0.374      0.0   
     3       3     0.454      0.6337     0.0   
     4       1     0.7194     0.5        0.5   
     5       2     0.9588     0.874      0.5   
     6       3     0.546      0.1337     0.5   


X-ray density (g/cm cub.)   =      6.86

MU (1/cm) =    1792.973    Mass attenuation coefficient (cm**2/g) =    261.185

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

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

    1    Co                  3.12         3
                                                 2.3041       3
                                                 2.3535       3
                                                 2.3535       3
    2    Sb                  3.264        2
                                                 2.5211       3
                                                 3.24         3
    3    S                   4.368        6
                                                 3.608        3
                                                 3.608        3
                                                 3.4665       3
                                                 3.4665       3
                                                 3.4665       3
                                                 3.4665       3

  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   1   0   0 10.577  21.154   0.103   56.45    2       54.6     3178.8
    2   1   1   0 13.819  27.639   0.134   32.22    4       27.2      900.0
    3   0   1   1 16.932  33.865   0.163   20.82    4       54.0     2296.3
    4   0   2   0 17.8    35.6     0.171   18.67    2       73.9     1924.5
    5   1   0   1 17.967  35.934   0.172   18.29    4       71.9     3576.1
    6   1   1   1 20.137  40.273   0.192   14.22    8       88.5     8424.9
    7   1   2   0 20.89   41.779   0.199   13.1     4      100.7     5018.4
    8   2   0   0 21.537  43.075   0.205   12.23    2       50.3      583.8
    9   2   1   0 23.432  46.864   0.222   10.11    4       50.7      981.1
   10   1   2   1 25.74   51.479   0.243    8.17    8       40.2      995.5
   11   2   0   1 26.294  52.588   0.248    7.78    4       12.3       44.8
   12   2   1   1 27.944  55.888   0.262    6.78    8       97.9     4909.6
   13   2   2   0 28.537  57.073   0.267    6.46    4       61.4      919.3
   14   1   3   0 29.598  59.196   0.276    5.95    4       55.1      683.1
   15   0   0   2 29.724  59.448   0.277    5.89    2      129.0     1854.2
   16   0   3   1 31.417  62.835   0.291    5.21    4      109.8     2375.6
   17   1   0   2 31.918  63.836   0.296    5.03    4       44.7      380.3
   18   2   2   1 32.562  65.125   0.301    4.82    8       46.6      791.2
   19   1   1   2 33.391  66.783   0.308    4.57    8       20.4      143.3
   20   3   0   0 33.412  66.825   0.308    4.56    2       57.5      285.3
   21   1   3   1 33.548  67.097   0.309    4.52    8       63.5     1378.7
   22   3   1   0 34.854  69.707   0.319    4.18    4       75.6      902.6
   23   0   2   2 35.625  71.251   0.326    4.0     4       59.8      540.7
   24   2   3   0 35.972  71.944   0.328    3.93    4       29.1      126.0
   25   3   0   1 37.149  74.299   0.338    3.69    4       32.4      146.4
   26   1   2   2 37.642  75.283   0.341    3.6     8       80.9     1784.4
   27   0   4   0 37.69   75.38    0.342    3.6     2       50.6      173.8
   28   2   0   2 38.093  76.185   0.345    3.53    4       41.7      231.9
   29   3   1   1 38.531  77.062   0.348    3.46    8       42.5      472.1
   30   3   2   0 39.037  78.074   0.352    3.38    4       60.5      467.7
   31   2   1   2 39.463  78.927   0.355    3.32    8       41.4      430.9
   32   2   3   1 39.61   79.221   0.356    3.3     8       38.7      373.9
   33   1   4   0 39.669  79.337   0.357    3.3     4       54.0      363.2
   34   3   2   1 42.599  85.197   0.378    2.99    8       42.4      405.4
   35   1   4   1 43.22   86.439   0.383    2.94    8        9.2       18.8
   36   2   2   2 43.513  87.026   0.385    2.92    8       51.1      575.9
   37   1   3   2 44.415  88.83    0.391    2.86    8       45.3      442.8


  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   1   0   0  10.577  21.154  4.873       3178.8     37.7     38.3     5.6
    2   1   1   0  13.819  27.639  3.7447       900.0     10.7     10.8     5.6
    3   0   1   1  16.932  33.865  3.0712      2296.3     27.3     27.4     5.7
    4   0   2   0  17.8    35.6    2.926       1924.5     22.8     22.9     5.7
    5   1   0   1  17.967  35.934  2.8997      3576.1     42.4     42.6     5.7
    6   1   1   1  20.137  40.273  2.59822     8424.9    100.0    100.0     5.7
    7   1   2   0  20.89   41.779  2.50852     5018.4     59.6     59.5     5.7
    8   2   0   0  21.537  43.075  2.4365       583.8      6.9      6.9     5.7
    9   2   1   0  23.432  46.864  2.24933      981.1     11.6     11.6     5.7
   10   1   2   1  25.74   51.479  2.05963      995.5     11.8     11.7     5.8
   11   2   1   1  27.944  55.888  1.90877     4909.6     58.3     57.2     5.8
   12   2   2   0  28.537  57.073  1.87235      919.3     10.9     10.7     5.8
   13   1   3   0  29.598  59.196  1.81096      683.1      8.1      7.9     5.8
   14   0   0   2  29.724  59.448  1.804       1854.2     22.0     21.5     5.8
   15   0   3   1  31.417  62.835  1.71594     2375.6     28.2     27.4     5.9
   16   1   0   2  31.918  63.836  1.69179      380.3      4.5      4.4     5.9
   17   2   2   1  32.562  65.125  1.6619       791.2      9.4      9.1     5.9
   18   3   0   0  33.412  66.825  1.62433      428.6      5.1      4.9     5.9
   19   1   3   1  33.548  67.097  1.61852     1378.7     16.4     15.8     5.9
   20   3   1   0  34.854  69.707  1.56516      902.6     10.7     10.3     5.9
   21   0   2   2  35.625  71.251  1.5356       540.7      6.4      6.1     5.9
   22   2   3   0  35.972  71.944  1.52277      126.0      1.5      1.4     5.9
   23   3   0   1  37.149  74.299  1.48115      146.4      1.7      1.7     6.0
   24   1   2   2  37.642  75.283  1.4646      1784.4     21.2     20.1     6.0
   25   0   4   0  37.69   75.38   1.463        173.8      2.1      2.0     6.0
   26   2   0   2  38.093  76.185  1.44985      231.9      2.8      2.6     6.0
   27   3   1   1  38.531  77.062  1.43587      472.1      5.6      5.3     6.0
   28   3   2   0  39.037  78.074  1.42017      467.7      5.6      5.2     6.0
   29   2   1   2  39.463  78.927  1.4073       430.9      5.1      4.8     6.0
   30   2   3   1  39.61   79.221  1.40293      373.9      4.4      4.2     6.0
   31   1   4   0  39.669  79.337  1.40121      363.2      4.3      4.1     6.0
   32   3   2   1  42.599  85.197  1.32149      405.4      4.8      4.5     6.1
   33   2   2   2  43.513  87.026  1.29911      575.9      6.8      6.3     6.1
   34   1   3   2  44.415  88.83   1.27807      442.8      5.3      4.8     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)