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       ***
                  ***********************
BARWOODITE

1, DN

Mn''(6)Nb'''''[SiO(4)](2)O(3)(OH)(3)


Hexagonal  P 3  Z = 1

R =0.0246          NR =746

26 .3 .19

Ref.Str.:

         Kampf A.R., Celestian A.J., Nash B.P. (2018)

         * Canad. Mineral., 56, 799-809

         L: $Mn2+6 Nb5+0.94 Fe3+0.18 Mn3+0.11 Si4 O14 H2.42$

         R: Locality - Granite Mountain, Little Rock, Pulaski County, Arkansas, USA.

         IMA2017-046.   N.A.D.

                   Initial data from BDM-file 

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

             a =   8.2139   alpha =   90.0 
             b =   8.2139   beta  =   90.0 
             c =   4.8117   gamma =  120.0 

    Unit cell volume (cub. angs.) =   281.14

    Molar volume ( cub.cm/mol.) =   169.34

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

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

   1 0.5856  0.8902  0.0      0.0    Mn    = 1.00
   2 0.415   0.1095  0.5001   0.0    Mn    = 1.00
   3 0.0     0.0     0.9657   0.0    Nb    = 0.45, Nb    = 0.0 
   4 0.0     0.0     0.4663   0.0    Nb    = 0.47, Nb    = 0.0 
   5 0.3333  0.6667  0.4377   0.0    Si    = 1.00
   6 0.6667  0.3333  0.9366   0.0    Si    = 1.00
   7 0.3708  0.8653  0.2976   0.0    O     = 1.00
   8 0.6295  0.1344  0.7983   0.0    O     = 1.00
   9 0.3333  0.6667  0.7706   0.0    O     = 1.00
  10 0.6667  0.3333  0.2711   0.0    O     = 1.00
  11 0.7798  0.8321  0.7752   0.0    OH    = 1.00
  12 0.2209  0.1676  0.2751   0.0    OH    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.5856     0.8902     0.0   
     2       2     0.415      0.1095     0.5001
     3       3     0.0        0.0        0.9657
     4       4     0.0        0.0        0.4663
     5       5     0.3333     0.6667     0.4377
     6       6     0.6667     0.3333     0.9366
     7       7     0.3708     0.8653     0.2976
     8       8     0.6295     0.1344     0.7983
     9       9     0.3333     0.6667     0.7706
    10      10     0.6667     0.3333     0.2711
    11      11     0.7798     0.8321     0.7752
    12      12     0.2209     0.1676     0.2751
    13       1     0.1098     0.6953     0.0   
    14       1     0.3047     0.4145     0.0   
    15       2     0.8905     0.3055     0.5001
    16       2     0.6945     0.585      0.5001
    17       7     0.1347     0.5055     0.2976
    18       7     0.4945     0.6292     0.2976
    19       8     0.8656     0.4951     0.7983
    20       8     0.5049     0.3705     0.7983
    21      11     0.1679     0.9477     0.7752
    22      11     0.0523     0.2202     0.7752
    23      12     0.8324     0.0533     0.2751
    24      12     0.9467     0.7791     0.2751


X-ray density (g/cm cub.)   =      4.14

MU (1/cm) =     667.37     Mass attenuation coefficient (cm**2/g) =    161.232

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

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

    1    Mn                  2.772        6
                                                 2.2006       7
                                                 2.0907       8
                                                 2.2535       9
                                                 2.1692      11
                                                 2.3671       7
                                                 2.223       12
    2    Mn                  2.772        6
                                                 2.092        7
                                                 2.201        8
                                                 2.251       10
                                                 2.1685      12
                                                 2.3699       8
                                                 2.2227      11
    3   Nb   ,Nb             2.484        6
                                                 1.8759      11
                                                 2.2149      12
                                                 1.876       11
                                                 1.8759      11
                                                 2.2149      12
                                                 2.2149      12
    4   Nb   ,Nb             2.484        6
                                                 2.2109      11
                                                 1.8804      12
                                                 2.211       11
                                                 2.2109      11
                                                 1.8804      12
                                                 1.8804      12
    5    Si                  2.148        4
                                                 1.6456       7
                                                 1.6018       9
                                                 1.6459       7
                                                 1.6464       7
    6    Si                  2.148        4
                                                 1.645        8
                                                 1.6095      10
                                                 1.6453       8
                                                 1.6457       8
    7    O                   3.312       11
                                                 3.2417       8
                                                 3.2367       8
                                                 2.7264       9
                                                 2.9468       9
                                                 3.2788      12
                                                 2.6008       7
                                                 2.6008       7
                                                 3.1056      11
                                                 3.2683      11
                                                 3.3041      12
                                                 3.1908      12
    8    O                   3.312       11
                                                 3.2367       7
                                                 3.2417       7
                                                 2.7274      10
                                                 2.9493      10
                                                 3.2814      11
                                                 2.6063       8
                                                 2.6063       8
                                                 3.3053      11
                                                 3.1816      11
                                                 3.0976      12
                                                 3.2664      12
    9    O                   3.312        9
                                                 2.9468       7
                                                 2.7264       7
                                                 3.2116      11
                                                 2.9469       7
                                                 2.7266       7
                                                 2.9472       7
                                                 2.7269       7
                                                 3.2107      11
                                                 3.2114      11
   10    O                   3.312        9
                                                 2.9493       8
                                                 2.7274       8
                                                 3.2058      12
                                                 2.9494       8
                                                 2.7276       8
                                                 2.9497       8
                                                 2.7278       8
                                                 3.2052      12
                                                 3.2057      12
   11    OH                  3.36        12
                                                 3.2814       8
                                                 3.2116       9
                                                 3.2683       7
                                                 3.1056       7
                                                 3.1816       8
                                                 3.3053       8
                                                 2.835       11
                                                 2.835       11
                                                 2.9135      12
                                                 2.9143      12
                                                 2.9072      12
                                                 2.908       12
   12    OH                  3.36        12
                                                 3.2788       7
                                                 3.2058      10
                                                 3.1908       7
                                                 3.3041       7
                                                 3.2664       8
                                                 3.0976       8
                                                 2.908       11
                                                 2.9072      11
                                                 2.9143      11
                                                 2.9135      11
                                                 2.8405      12
                                                 2.8405      12

  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   1   0   0  6.216  12.433   0.07   167.6     6        4.2       22.8
    2   0   0   1  9.212  18.424   0.104   75.11    2        0.9        0.1
    3   1   1   0 10.81   21.62    0.122   53.95    6       34.9      499.2
    4   1   0  -1 11.144  22.287   0.125   50.65    6       25.3      245.7
    5   1   0   1 11.144  22.287   0.125   50.65    6       26.2      264.9
    6   2   0   0 12.508  25.015   0.141   39.77    6       12.4       46.8
    7   1   1  -1 14.276  28.551   0.16    30.06    6       72.1     1186.1
    8   1   1   1 14.276  28.551   0.16    30.06    6       71.9     1180.3
    9   2   0  -1 15.623  31.247   0.175   24.78    6       66.0      819.2
   10   2   0   1 15.623  31.247   0.175   24.78    6       65.9      816.1
   11   1   2   0 16.648  33.297   0.186   21.6     6       19.1       59.9
   12   2   1   0 16.648  33.297   0.186   21.6     6       86.2     1217.5
   13   0   0   2 18.673  37.346   0.208   16.81    2       98.9      415.6
   14   3   0   0 18.957  37.914   0.211   16.26    6       52.3      338.1
   15   1   2  -1 19.159  38.318   0.213   15.88    6       68.4      564.1
   16   1   2   1 19.159  38.318   0.213   15.88    6       68.6      567.9
   17   2   1  -1 19.159  38.318   0.213   15.88    6       54.4      356.9
   18   2   1   1 19.159  38.318   0.213   15.88    6       53.0      338.3
   19   1   0  -2 19.754  39.508   0.219   14.84    6        3.4        1.3
   20   1   0   2 19.754  39.508   0.219   14.84    6        3.2        1.1
   21   3   0  -1 21.233  42.466   0.235   12.63    6       23.6       53.3
   22   3   0   1 21.233  42.466   0.235   12.63    6       23.3       52.1
   23   1   1  -2 21.781  43.562   0.241   11.93    6       27.6       69.1
   24   1   1   2 21.781  43.562   0.241   11.93    6       27.6       68.9
   25   2   2   0 22.031  44.062   0.243   11.63    6       12.2       13.0
   26   2   0  -2 22.739  45.478   0.251   10.82    6       20.1       33.1
   27   2   0   2 22.739  45.478   0.251   10.82    6       20.1       33.1
   28   1   3   0 22.981  45.962   0.253   10.57    6        6.1        3.0
   29   3   1   0 22.981  45.962   0.253   10.57    6       23.2       43.1
   30   2   2  -1 24.069  48.139   0.265    9.52    6       22.4       36.2
   31   2   2   1 24.069  48.139   0.265    9.52    6       22.2       35.7
   32   1   3  -1 24.959  49.918   0.274    8.76    6       40.9      111.3
   33   1   3   1 24.959  49.918   0.274    8.76    6       41.2      113.0
   34   3   1  -1 24.959  49.918   0.274    8.76    6       27.7       51.0
   35   3   1   1 24.959  49.918   0.274    8.76    6       27.7       50.9
   36   1   2  -2 25.445  50.889   0.279    8.39    6       14.4       13.1
   37   1   2   2 25.445  50.889   0.279    8.39    6       14.6       13.7
   38   2   1  -2 25.445  50.889   0.279    8.39    6      132.7     1121.8
   39   2   1   2 25.445  50.889   0.279    8.39    6      132.8     1122.1
   40   4   0   0 25.667  51.334   0.281    8.22    6       32.1       64.2
   41   3   0  -2 27.137  54.273   0.296    7.24    6       57.8      183.7
   42   3   0   2 27.137  54.273   0.296    7.24    6       57.8      183.9
   43   4   0  -1 27.502  55.004   0.3      7.03    6       57.3      175.3
   44   4   0   1 27.502  55.004   0.3      7.03    6       57.2      174.8
   45   2   3   0 28.164  56.329   0.306    6.66    6       52.8      140.9
   46   3   2   0 28.164  56.329   0.306    6.66    6       31.7       50.7
   47   0   0   3 28.702  57.404   0.312    6.38    2        0.9        0.0
   48   1   0  -3 29.493  58.985   0.32     6.0     6       34.2       53.3
   49   1   0   3 29.493  58.985   0.32     6.0     6       35.3       56.7
   50   2   2  -2 29.549  59.098   0.32     5.97    6       24.0       26.1
   51   2   2   2 29.549  59.098   0.32     5.97    6       23.9       26.0
   52   1   4   0 29.751  59.501   0.322    5.88    6      153.9     1057.2
   53   4   1   0 29.751  59.501   0.322    5.88    6       43.9       86.0
   54   2   3  -1 29.895  59.79    0.324    5.82    6        9.9        4.4
   55   2   3   1 29.895  59.79    0.324    5.82    6        7.8        2.7
   56   3   2  -1 29.895  59.79    0.324    5.82    6       74.9      248.1
   57   3   2   1 29.895  59.79    0.324    5.82    6       74.4      244.6
   58   1   3  -2 30.326  60.652   0.328    5.64    6        3.7        0.6
   59   1   3   2 30.326  60.652   0.328    5.64    6        3.1        0.4
   60   3   1  -2 30.326  60.652   0.328    5.64    6       14.9        9.6
   61   3   1   2 30.326  60.652   0.328    5.64    6       14.9        9.6
   62   1   1  -3 31.036  62.072   0.335    5.35    6       49.0       97.4
   63   1   1   3 31.036  62.072   0.335    5.35    6       48.5       95.7
   64   1   4  -1 31.427  62.853   0.338    5.21    6        2.0        0.2
   65   1   4   1 31.427  62.853   0.338    5.21    6        2.3        0.2
   66   4   1  -1 31.427  62.853   0.338    5.21    6       27.2       29.3
   67   4   1   1 31.427  62.853   0.338    5.21    6       27.6       30.2
   68   2   0  -3 31.791  63.583   0.342    5.08    6       39.6       60.3
   69   2   0   3 31.791  63.583   0.342    5.08    6       39.7       60.7
   70   4   0  -2 32.59   65.18    0.35     4.81    6       14.1        7.2
   71   4   0   2 32.59   65.18    0.35     4.81    6       14.3        7.4
   72   5   0   0 32.781  65.561   0.351    4.75    6       14.3        7.4
   73   1   2  -3 34.002  68.003   0.363    4.4     6       49.7       82.6
   74   1   2   3 34.002  68.003   0.363    4.4     6       50.0       83.5
   75   2   1  -3 34.002  68.003   0.363    4.4     6       50.4       84.7
   76   2   1   3 34.002  68.003   0.363    4.4     6       50.8       86.1
   77   3   3   0 34.24   68.481   0.365    4.33    6       14.6        7.0
   78   5   0  -1 34.374  68.748   0.366    4.3     6       12.1        4.7
   79   5   0   1 34.374  68.748   0.366    4.3     6       11.5        4.3
   80   2   3  -2 34.774  69.549   0.37     4.2     6       29.5       27.8
   81   2   3   2 34.774  69.549   0.37     4.2     6       29.9       28.4
   82   3   2  -2 34.774  69.549   0.37     4.2     6        7.7        1.9
   83   3   2   2 34.774  69.549   0.37     4.2     6        7.9        2.0
   84   2   4   0 34.959  69.918   0.372    4.15    6       42.1       55.9
   85   4   2   0 34.959  69.918   0.372    4.15    6       55.8       98.2
   86   3   0  -3 35.437  70.874   0.376    4.04    6       15.5        7.3
   87   3   0   3 35.437  70.874   0.376    4.04    6       15.3        7.2
   88   3   3  -1 35.803  71.605   0.38     3.96    6       47.4       67.5
   89   3   3   1 35.803  71.605   0.38     3.96    6       47.9       69.0
   90   1   4  -2 36.196  72.392   0.383    3.88    6       68.2      136.9
   91   1   4   2 36.196  72.392   0.383    3.88    6       68.2      137.0
   92   4   1  -2 36.196  72.392   0.383    3.88    6       39.3       45.5
   93   4   1   2 36.196  72.392   0.383    3.88    6       39.3       45.4
   94   2   4  -1 36.508  73.016   0.386    3.81    6       18.8       10.2
   95   2   4   1 36.508  73.016   0.386    3.81    6       18.9       10.4
   96   4   2  -1 36.508  73.016   0.386    3.81    6       25.6       18.9
   97   4   2   1 36.508  73.016   0.386    3.81    6       26.5       20.3
   98   1   5   0 37.078  74.157   0.391    3.71    6        1.0        0.0
   99   5   1   0 37.078  74.157   0.391    3.71    6       47.6       63.8
  100   2   2  -3 37.545  75.09    0.396    3.62    6        8.8        2.1
  101   2   2   3 37.545  75.09    0.396    3.62    6        8.5        2.0
  102   1   3  -3 38.238  76.476   0.402    3.51    6       36.7       35.8
  103   1   3   3 38.238  76.476   0.402    3.51    6       37.7       37.8
  104   3   1  -3 38.238  76.476   0.402    3.51    6        9.9        2.6
  105   3   1   3 38.238  76.476   0.402    3.51    6        9.8        2.6
  106   1   5  -1 38.594  77.188   0.405    3.45    6       29.7       23.0
  107   1   5   1 38.594  77.188   0.405    3.45    6       29.5       22.7
  108   5   1  -1 38.594  77.188   0.405    3.45    6       24.8       16.1
  109   5   1   1 38.594  77.188   0.405    3.45    6       25.5       17.0
  110   5   0  -2 38.977  77.954   0.408    3.39    6       11.8        3.6
  111   5   0   2 38.977  77.954   0.408    3.39    6       11.4        3.4
  112   0   0   4 39.817  79.634   0.416    3.28    2      112.7      105.3
  113   4   0  -3 40.295  80.59    0.42     3.22    6       47.7       55.7
  114   4   0   3 40.295  80.59    0.42     3.22    6       48.8       58.2
  115   3   3  -2 40.344  80.689   0.42     3.21    6       21.8       11.6
  116   3   3   2 40.344  80.689   0.42     3.21    6       22.6       12.4
  117   1   0  -4 40.499  80.997   0.422    3.19    6       12.4        3.7
  118   1   0   4 40.499  80.997   0.422    3.19    6       12.1        3.5
  119   6   0   0 40.52   81.04    0.422    3.19    6       25.5       15.7
  120   2   4  -2 41.024  82.048   0.426    3.14    6       26.9       17.2
  121   2   4   2 41.024  82.048   0.426    3.14    6       26.6       16.8
  122   4   2  -2 41.024  82.048   0.426    3.14    6       78.3      145.8
  123   4   2   2 41.024  82.048   0.426    3.14    6       78.3      145.8
  124   3   4   0 41.199  82.397   0.428    3.12    6        4.8        0.5
  125   4   3   0 41.199  82.397   0.428    3.12    6        3.8        0.3
  126   1   1  -4 41.855  83.709   0.433    3.05    6       27.1       17.1
  127   1   1   4 41.855  83.709   0.433    3.05    6       27.0       16.9
  128   6   0  -1 42.001  84.002   0.434    3.04    6       41.6       39.9
  129   6   0   1 42.001  84.002   0.434    3.04    6       41.8       40.3
  130   2   3  -3 42.328  84.656   0.437    3.01    6       18.8        8.1
  131   2   3   3 42.328  84.656   0.437    3.01    6       17.6        7.1
  132   3   2  -3 42.328  84.656   0.437    3.01    6       67.3      103.3
  133   3   2   3 42.328  84.656   0.437    3.01    6       67.1      102.7
  134   2   0  -4 42.53   85.059   0.439    2.99    6       10.9        2.7
  135   2   0   4 42.53   85.059   0.439    2.99    6       11.2        2.8
  136   2   5   0 42.551  85.101   0.439    2.99    6       21.8       10.8
  137   5   2   0 42.551  85.101   0.439    2.99    6       26.8       16.3
  138   3   4  -1 42.676  85.351   0.44     2.98    6       36.4       30.0
  139   3   4   1 42.676  85.351   0.44     2.98    6       36.5       30.2
  140   4   3  -1 42.676  85.351   0.44     2.98    6       11.7        3.1
  141   4   3   1 42.676  85.351   0.44     2.98    6       12.1        3.3
  142   1   5  -2 43.051  86.101   0.443    2.95    6        3.7        0.3
  143   1   5   2 43.051  86.101   0.443    2.95    6        3.7        0.3
  144   5   1  -2 43.051  86.101   0.443    2.95    6       48.7       53.1
  145   5   1   2 43.051  86.101   0.443    2.95    6       48.6       52.9
  146   1   4  -3 43.675  87.35    0.448    2.91    6        1.7        0.1
  147   1   4   3 43.675  87.35    0.448    2.91    6        1.3        0.0
  148   4   1  -3 43.675  87.35    0.448    2.91    6       26.2       15.1
  149   4   1   3 43.675  87.35    0.448    2.91    6       26.4       15.4
  150   2   5  -1 44.022  88.043   0.451    2.88    6       58.2       74.1
  151   2   5   1 44.022  88.043   0.451    2.88    6       58.0       73.5
  152   5   2  -1 44.022  88.043   0.451    2.88    6       10.8        2.5
  153   5   2   1 44.022  88.043   0.451    2.88    6       10.7        2.5
  154   1   2  -4 44.548  89.096   0.455    2.85    6       14.2        4.4
  155   1   2   4 44.548  89.096   0.455    2.85    6       14.5        4.6
  156   2   1  -4 44.548  89.096   0.455    2.85    6       68.5      101.5
  157   2   1   4 44.548  89.096   0.455    2.85    6       68.4      101.2


  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   1   1   0  10.81   21.62   4.10695      499.2     21.1     21.2     5.6
    2   1   0   1  11.144  22.287  3.98554      510.6     21.6     21.7     5.6
    3   2   0   0  12.508  25.015  3.55672       46.8      2.0      2.0     5.6
    4   1   1   1  14.276  28.551  3.12379     2366.4    100.0    100.0     5.6
    5   2   0   1  15.623  31.247  2.86016     1635.3     69.1     68.9     5.6
    6   2   1   0  16.648  33.297  2.68863     1277.4     54.0     53.8     5.6
    7   0   0   2  18.673  37.346  2.40585      415.6     17.6     17.4     5.7
    8   3   0   0  18.957  37.914  2.37115      338.1     14.3     14.2     5.7
    9   1   2   1  19.159  38.318  2.34708     1827.3     77.2     76.6     5.7
   10   3   0   1  21.233  42.466  2.12692      105.4      4.5      4.4     5.7
   11   1   1   2  21.781  43.562  2.07589      138.0      5.8      5.8     5.7
   12   2   0   2  22.739  45.478  1.99277       66.3      2.8      2.8     5.7
   13   3   1   0  22.981  45.962  1.97292       46.1      1.9      1.9     5.7
   14   2   2   1  24.069  48.139  1.88867       71.9      3.0      3.0     5.7
   15   1   3   1  24.959  49.918  1.82543      326.2     13.8     13.5     5.7
   16   2   1   2  25.445  50.889  1.79286     2270.7     96.0     93.8     5.8
   17   4   0   0  25.667  51.334  1.77836       64.2      2.7      2.7     5.8
   18   3   0   2  27.137  54.273  1.68879      367.6     15.5     15.1     5.8
   19   4   0   1  27.502  55.004  1.66808      350.1     14.8     14.4     5.8
   20   2   3   0  28.164  56.329  1.63194      191.6      8.1      7.9     5.8
   21   1   0   3  29.493  58.985  1.56462      110.0      4.6      4.5     5.8
   22   2   2   2  29.549  59.098  1.5619        52.1      2.2      2.1     5.8
   23   1   4   0  29.751  59.501  1.55228     1143.2     48.3     46.7     5.8
   24   3   2   1  29.895  59.79   1.54547      499.8     21.1     20.4     5.8
   25   1   1   3  31.036  62.072  1.49401      193.1      8.2      7.9     5.8
   26   4   1   1  31.427  62.853  1.47731       59.4      2.5      2.4     5.9
   27   2   0   3  31.791  63.583  1.46211      121.0      5.1      4.9     5.9
   28   2   1   3  34.002  68.003  1.37743      336.9     14.2     13.6     5.9
   29   2   3   2  34.774  69.549  1.35055       60.1      2.5      2.4     5.9
   30   4   2   0  34.959  69.918  1.34431      154.1      6.5      6.2     5.9
   31   3   3   1  35.803  71.605  1.31673      136.4      5.8      5.5     5.9
   32   1   4   2  36.196  72.392  1.30435      364.9     15.4     14.6     5.9
   33   4   2   1  36.508  73.016  1.29473       59.8      2.5      2.4     6.0
   34   5   1   0  37.078  74.157  1.27761       63.8      2.7      2.5     6.0
   35   1   3   3  38.238  76.476  1.24453       78.7      3.3      3.1     6.0
   36   1   5   1  38.594  77.188  1.23483       78.8      3.3      3.1     6.0
   37   0   0   4  39.817  79.634  1.20292      105.3      4.4      4.1     6.0
   38   4   0   3  40.295  80.59   1.19105      113.8      4.8      4.5     6.1
   39   3   3   2  40.344  80.689  1.18984       24.1      1.0      0.9     6.1
   40   4   2   2  41.024  82.048  1.17354      325.6     13.8     12.8     6.1
   41   1   1   4  41.855  83.709  1.15442       34.0      1.4      1.3     6.1
   42   6   0   1  42.001  84.002  1.15115       80.2      3.4      3.1     6.1
   43   3   2   3  42.328  84.656  1.14391      221.2      9.3      8.6     6.1
   44   5   2   0  42.551  85.101  1.13906       32.6      1.4      1.3     6.1
   45   3   4   1  42.676  85.351  1.13636       66.6      2.8      2.6     6.1
   46   5   1   2  43.051  86.101  1.12838      106.0      4.5      4.1     6.1
   47   4   1   3  43.675  87.35   1.11543       30.5      1.3      1.2     6.2
   48   2   5   1  44.022  88.043  1.10843      152.6      6.4      5.9     6.2
   49   2   1   4  44.548  89.096  1.09803      211.6      8.9      8.1     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)