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       ***
                  ***********************
PETERSITE-(CE)

1, t-mixite

Cu(6)Ce[PO(4)](3)(OH)(6).3H(2)O


Hexagonal  P 6(3)/m  Z = 2

R =0.0424          NR =754

20 .11 .19

Ref.Str.:

         Morrison S.M., Domanik K.J., Yang H., Downs R.T. (2016)

         * Canad. Mineral., 54, 1505-1511

         L: $Cu2+6.05 Ce0.18 Y0.16 La0.12 Nd0.09 Gd0.03 Pr0.02 Dy0.01 Sm0.01 Ca0.42

         P2.86 Si0.14 O21$

         R: Locality - the Cherry Creek District of Yavapai County, Arizona, USA.

         IMA2014-002.   N.A.D.

                   Initial data from BDM-file 

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

             a =  13.2197   alpha =   90.0 
             b =  13.2197   beta  =   90.0 
             c =   5.8591   gamma =  120.0 

    Unit cell volume (cub. angs.) =   886.76

    Molar volume ( cub.cm/mol.) =   267.06

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

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

   1 0.6667  0.3333  0.25     0.0    Ce    = 0.56, Ca    = 0.44
   2 0.412   0.3149  0.5033   0.0    Cu    = 1.00
   3 0.4931  0.1487  0.75     0.0    P     = 1.00
   4 0.3904  0.4042  0.25     0.0    O     = 1.00
   5 0.4179  0.2105  0.75     0.0    O     = 1.00
   6 0.5667  0.1784  0.5355   0.0    O     = 1.00
   7 0.3641  0.3747  0.75     0.0    OH    = 1.00
   8 0.4447  0.248   0.25     0.0    OH    = 1.00
   9 0.132   0.16    0.124    0.0    H(2)O = 0.5 , H(2)O = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.6667     0.3333     0.25  
     2       2     0.412      0.3149     0.5033
     3       3     0.4931     0.1487     0.75  
     4       4     0.3904     0.4042     0.25  
     5       5     0.4179     0.2105     0.75  
     6       6     0.5667     0.1784     0.5355
     7       7     0.3641     0.3747     0.75  
     8       8     0.4447     0.248      0.25  
     9       9     0.132      0.16       0.124 
    10       2     0.6851     0.0971     0.5033
    11       2     0.9029     0.588      0.5033
    12       3     0.8513     0.3444     0.75  
    13       3     0.6556     0.5069     0.75  
    14       4     0.5958     0.9862     0.25  
    15       4     0.0138     0.6096     0.25  
    16       5     0.7895     0.2074     0.75  
    17       5     0.7926     0.5821     0.75  
    18       6     0.8216     0.3883     0.5355
    19       6     0.6117     0.4333     0.5355
    20       7     0.6253     0.9894     0.75  
    21       7     0.0106     0.6359     0.75  
    22       8     0.752      0.1967     0.25  
    23       8     0.8033     0.5553     0.25  
    24       9     0.84       0.972      0.124 
    25       9     0.028      0.868      0.124 
    26       1     0.3333     0.6667     0.75  
    27       2     0.588      0.6851     0.0033
    28       3     0.5069     0.8513     0.25  
    29       4     0.6096     0.5958     0.75  
    30       5     0.5821     0.7895     0.25  
    31       6     0.4333     0.8216     0.0355
    32       7     0.6359     0.6253     0.25  
    33       8     0.5553     0.752      0.75  
    34       9     0.868      0.84       0.624 
    35       2     0.3149     0.9029     0.0033
    36       2     0.0971     0.412      0.0033
    37       3     0.1487     0.6556     0.25  
    38       3     0.3444     0.4931     0.25  
    39       4     0.4042     0.0138     0.75  
    40       4     0.9862     0.3904     0.75  
    41       5     0.2105     0.7926     0.25  
    42       5     0.2074     0.4179     0.25  
    43       6     0.1784     0.6117     0.0355
    44       6     0.3883     0.5667     0.0355
    45       7     0.3747     0.0106     0.25  
    46       7     0.9894     0.3641     0.25  
    47       8     0.248      0.8033     0.75  
    48       8     0.1967     0.4447     0.75  
    49       9     0.16       0.028      0.624 
    50       9     0.972      0.132      0.624 
    51       2     0.412      0.3149     0.9967
    52       6     0.5667     0.1784     0.9645
    53       9     0.132      0.16       0.376 
    54       2     0.6851     0.0971     0.9967
    55       2     0.9029     0.588      0.9967
    56       6     0.8216     0.3883     0.9645
    57       6     0.6117     0.4333     0.9645
    58       9     0.84       0.972      0.376 
    59       9     0.028      0.868      0.376 
    60       2     0.588      0.6851     0.4967
    61       6     0.4333     0.8216     0.4645
    62       9     0.868      0.84       0.876 
    63       2     0.3149     0.9029     0.4967
    64       2     0.0971     0.412      0.4967
    65       6     0.1784     0.6117     0.4645
    66       6     0.3883     0.5667     0.4645
    67       9     0.16       0.028      0.876 
    68       9     0.972      0.132      0.876 


X-ray density (g/cm cub.)   =      3.44

MU (1/cm) =     231.028    Mass attenuation coefficient (cm**2/g) =     67.162

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

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

    1   Ce   ,Ca             3.048        9
                                                 2.456        6
                                                 2.5642       8
                                                 2.4559       6
                                                 2.4567       6
                                                 2.5631       8
                                                 2.564        8
                                                 2.456        6
                                                 2.4559       6
                                                 2.4567       6
    2    Cu                  2.976        5
                                                 2.0037       4
                                                 2.0268       5
                                                 1.9015       7
                                                 1.8852       8
                                                 2.3072       6
    3    P                   2.4          4
                                                 1.571        5
                                                 1.516        6
                                                 1.5701       4
                                                 1.516        6
    4    O                   3.432       11
                                                 2.9529       7
                                                 2.9529       7
                                                 2.5023       8
                                                 3.407        9
                                                 3.2218       6
                                                 3.0968       7
                                                 2.5148       5
                                                 2.501        6
                                                 3.407        9
                                                 3.2218       6
                                                 2.501        6
    5    O                   3.432       10
                                                 2.5424       6
                                                 2.6003       7
                                                 2.9628       8
                                                 2.9628       8
                                                 3.0451       6
                                                 2.5145       4
                                                 3.1247       9
                                                 2.5424       6
                                                 3.0451       6
                                                 3.1247       9
    6    O                   3.432       12
                                                 2.5424       5
                                                 2.7803       8
                                                 3.2218       4
                                                 3.0451       5
                                                 3.1151       6
                                                 3.1151       6
                                                 3.2185       7
                                                 2.8749       8
                                                 2.5009       4
                                                 2.9207       7
                                                 2.5136       6
                                                 3.3455       6
    7    OH                  3.48         9
                                                 2.9529       4
                                                 2.9529       4
                                                 2.6003       5
                                                 3.2185       6
                                                 3.0968       4
                                                 2.9208       6
                                                 2.7932       8
                                                 3.2185       6
                                                 2.9208       6
    8    OH                  3.48         8
                                                 2.5023       4
                                                 2.9628       5
                                                 2.9628       5
                                                 2.7803       6
                                                 2.8749       6
                                                 2.793        7
                                                 2.7803       6
                                                 2.8749       6
    9   H(2)O,H(2)O          3.6         11
                                                 3.407        4
                                                 3.3888       9
                                                 3.3888       9
                                                 3.1248       5
                                                 3.5227       9
                                                 3.5227       9
                                                 3.5229       9
                                                 3.5229       9
                                                 1.4765       9
                                                 2.437        9
                                                 2.4372       9

  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  3.858   7.716   0.044  438.82    6      148.7     7399.8
    2   1   1   0  6.692  13.384   0.076  144.31    6       14.9       24.3
    3   2   0   0  7.733  15.467   0.087  107.5     6        2.2        0.4
    4   1   0   1  8.493  16.985   0.096   88.76   12        6.7        6.1
    5   1   1   1 10.118  20.237   0.114   61.89   12       31.7       95.0
    6   1   2   0 10.254  20.508   0.116   60.2     6      206.7     1963.2
    7   2   1   0 10.254  20.508   0.116   60.2     6       60.0      165.5
    8   2   0   1 10.843  21.687   0.122   53.61   12       72.3      427.5
    9   3   0   0 11.645  23.29    0.131   46.2     6      107.9      410.6
   10   1   2   1 12.785  25.57    0.144   37.98   12      107.0      663.4
   11   2   1   1 12.785  25.57    0.144   37.98   12       64.7      242.3
   12   2   2   0 13.478  26.956   0.151   33.97    6      105.4      288.2
   13   3   0   1 13.939  27.877   0.156   31.63   12       28.0       37.9
   14   1   3   0 14.039  28.079   0.157   31.15    6        0.0        0.0
   15   3   1   0 14.039  28.079   0.157   31.15    6      149.7      532.8
   16   0   0   2 15.244  30.489   0.171   26.12    2       73.3       35.7
   17   2   2   1 15.521  31.042   0.174   25.13   12      100.7      388.7
   18   4   0   0 15.612  31.225   0.175   24.82    6      220.0      916.3
   19   1   0   2 15.748  31.496   0.176   24.36   12        9.7        3.5
   20   1   3   1 16.017  32.034   0.179   23.49   12       65.7      154.8
   21   3   1   1 16.017  32.034   0.179   23.49   12       67.1      161.2
   22   1   1   2 16.714  33.429   0.187   21.42   12       95.4      297.1
   23   2   3   0 17.054  34.108   0.19    20.5     6      177.1      490.7
   24   3   2   0 17.054  34.108   0.19    20.5     6      129.3      261.6
   25   2   0   2 17.18   34.359   0.192   20.17   12       37.5       43.3
   26   4   0   1 17.429  34.858   0.194   19.55   12       53.0       83.7
   27   1   4   0 17.958  35.916   0.2     18.31    6       32.4       14.6
   28   4   1   0 17.958  35.916   0.2     18.31    6      250.9      879.7
   29   1   2   2 18.513  37.027   0.206   17.13   12      237.5     1474.5
   30   2   1   2 18.513  37.027   0.206   17.13   12      148.7      577.6
   31   2   3   1 18.747  37.494   0.209   16.66   12       68.1      118.0
   32   3   2   1 18.747  37.494   0.209   16.66   12       55.6       78.6
   33   3   0   2 19.358  38.717   0.215   15.52   12        1.0        0.0
   34   1   4   1 19.584  39.167   0.218   15.13   12       30.0       20.7
   35   4   1   1 19.584  39.167   0.218   15.13   12       22.5       11.6
   36   5   0   0 19.658  39.316   0.218   15.0     6        4.8        0.3
   37   3   3   0 20.463  40.926   0.227   13.72    6        0.0        0.0
   38   2   2   2 20.571  41.141   0.228   13.56   12      124.0      318.0
   39   2   4   0 20.856  41.712   0.231   13.15    6      108.3      117.6
   40   4   2   0 20.856  41.712   0.231   13.15    6       17.4        3.0
   41   1   3   2 20.962  41.924   0.232   13.0    12       67.5       90.3
   42   3   1   2 20.962  41.924   0.232   13.0    12       49.6       48.8
   43   5   0   1 21.173  42.346   0.234   12.71   12       11.8        2.7
   44   3   3   1 21.932  43.864   0.242   11.74   12        6.3        0.7
   45   1   5   0 22.0    44.0     0.243   11.66    6       93.1       77.1
   46   5   1   0 22.0    44.0     0.243   11.66    6      146.4      190.9
   47   4   0   2 22.102  44.203   0.244   11.54   12      111.9      220.4
   48   2   4   1 22.304  44.608   0.246   11.31   12       72.0       89.3
   49   4   2   1 22.304  44.608   0.246   11.31   12       47.9       39.6
   50   2   3   2 23.196  46.393   0.256   10.35   12      123.3      240.0
   51   3   2   2 23.196  46.393   0.256   10.35   12      147.0      341.5
   52   1   5   1 23.391  46.782   0.258   10.15   12       10.4        1.7
   53   5   1   1 23.391  46.782   0.258   10.15   12       38.6       23.0
   54   1   0   3 23.584  47.169   0.26     9.97   12       48.9       36.4
   55   6   0   0 23.809  47.618   0.262    9.75    6        8.4        0.5
   56   1   4   2 23.904  47.809   0.263    9.67   12       29.5       12.8
   57   4   1   2 23.904  47.809   0.263    9.67   12       60.4       53.7
   58   3   4   0 24.158  48.316   0.266    9.44    6       98.2       69.5
   59   4   3   0 24.158  48.316   0.266    9.44    6      114.2       93.9
   60   1   1   3 24.284  48.568   0.267    9.33   12       24.1        8.3
   61   2   0   3 24.628  49.256   0.271    9.03   12       57.5       45.5
   62   2   5   0 24.846  49.691   0.273    8.85    6        7.2        0.3
   63   5   2   0 24.846  49.691   0.273    8.85    6        3.7        0.1
   64   6   0   1 25.123  50.245   0.276    8.63   12        9.0        1.1
   65   5   0   2 25.276  50.551   0.277    8.52   12       76.4       75.9
   66   3   4   1 25.458  50.917   0.279    8.38   12       47.5       28.8
   67   4   3   1 25.458  50.917   0.279    8.38   12       81.6       85.2
   68   1   2   3 25.64   51.28    0.281    8.24   12       92.1      106.7
   69   2   1   3 25.64   51.28    0.281    8.24   12       26.6        8.9
   70   3   3   2 25.941  51.882   0.284    8.03   12      188.9      437.0
   71   2   5   1 26.121  52.241   0.286    7.9    12       44.7       24.1
   72   5   2   1 26.121  52.241   0.286    7.9    12        7.9        0.8
   73   1   6   0 26.18   52.36    0.286    7.86    6      133.4      106.7
   74   6   1   0 26.18   52.36    0.286    7.86    6       74.7       33.5
   75   2   4   2 26.269  52.538   0.287    7.8    12      199.9      475.4
   76   4   2   2 26.269  52.538   0.287    7.8    12      145.9      253.4
   77   3   0   3 26.299  52.597   0.288    7.78   12       12.9        2.0
   78   1   5   2 27.237  54.474   0.297    7.18   12      223.8      548.9
   79   5   1   2 27.237  54.474   0.297    7.18   12       31.1       10.6
   80   2   2   3 27.266  54.532   0.297    7.17   12       35.4       13.7
   81   1   6   1 27.411  54.821   0.299    7.08   12       39.1       16.5
   82   6   1   1 27.411  54.821   0.299    7.08   12       17.2        3.2
   83   1   3   3 27.583  55.166   0.301    6.98   12       26.2        7.3
   84   3   1   3 27.583  55.166   0.301    6.98   12       66.4       46.9
   85   4   4   0 27.784  55.568   0.303    6.87    6      240.1      302.0
   86   3   5   0 28.097  56.195   0.306    6.69    6      157.7      127.1
   87   5   3   0 28.097  56.195   0.306    6.69    6       57.2       16.7
   88   7   0   0 28.097  56.195   0.306    6.69    6       31.9        5.2
   89   4   0   3 28.521  57.041   0.31     6.47   12       42.6       18.0
   90   6   0   2 28.801  57.602   0.313    6.33   12      183.0      323.2
   91   4   4   1 28.968  57.937   0.314    6.25   12       53.9       27.7
   92   2   6   0 29.024  58.048   0.315    6.22    6       51.9       12.8
   93   6   2   0 29.024  58.048   0.315    6.22    6        0.9        0.0
   94   3   4   2 29.107  58.214   0.316    6.18   12      105.6      105.1
   95   4   3   2 29.107  58.214   0.316    6.18   12        1.8        0.0
   96   3   5   1 29.273  58.547   0.317    6.1    12       67.3       42.2
   97   5   3   1 29.273  58.547   0.317    6.1    12       63.1       37.1
   98   7   0   1 29.273  58.547   0.317    6.1    12       24.2        5.4
   99   2   3   3 29.439  58.877   0.319    6.02   12       45.6       19.1
  100   3   2   3 29.439  58.877   0.319    6.02   12       25.2        5.8
  101   2   5   2 29.713  59.427   0.322    5.9    12       68.2       41.9
  102   5   2   2 29.713  59.427   0.322    5.9    12      158.5      226.3
  103   1   4   3 30.041  60.081   0.325    5.76   12       34.7       10.6
  104   4   1   3 30.041  60.081   0.325    5.76   12        0.1        0.0
  105   2   6   1 30.177  60.354   0.326    5.7    12       71.0       43.8
  106   6   2   1 30.177  60.354   0.326    5.7    12       18.9        3.1
  107   1   7   0 30.528  61.057   0.33     5.55    6        9.4        0.4
  108   7   1   0 30.528  61.057   0.33     5.55    6      242.7      249.5
  109   1   6   2 30.904  61.808   0.333    5.4    12       79.7       52.3
  110   6   1   2 30.904  61.808   0.333    5.4    12      176.0      255.4
  111   5   0   3 31.224  62.448   0.336    5.28   12        6.3        0.3
  112   1   7   1 31.648  63.296   0.341    5.13   12        4.0        0.1
  113   7   1   1 31.648  63.296   0.341    5.13   12        3.4        0.1
  114   4   5   0 31.701  63.402   0.341    5.11    6       50.5        9.9
  115   5   4   0 31.701  63.402   0.341    5.11    6        4.4        0.1
  116   0   0   4 31.727  63.454   0.341    5.1     2      431.0      241.0
  117   3   3   3 31.806  63.612   0.342    5.07   12       34.9        9.4
  118   1   0   4 32.016  64.032   0.344    5.0    12      115.8      102.4
  119   2   4   3 32.095  64.19    0.345    4.97   12       49.0       18.2
  120   4   2   3 32.095  64.19    0.345    4.97   12       51.3       20.0
  121   3   6   0 32.278  64.556   0.347    4.91    6       17.3        1.1
  122   6   3   0 32.278  64.556   0.347    4.91    6       42.4        6.7
  123   4   4   2 32.356  64.713   0.347    4.89   12      218.1      354.9
  124   8   0   0 32.565  65.13    0.349    4.82    6       84.7       26.4
  125   1   1   4 32.59   65.18    0.35     4.81   12       38.8       11.0
  126   3   5   2 32.643  65.285   0.35     4.8    12       66.4       32.3
  127   5   3   2 32.643  65.285   0.35     4.8    12       13.8        1.4
  128   7   0   2 32.643  65.285   0.35     4.8    12      100.8       74.3
  129   4   5   1 32.798  65.596   0.352    4.75   12       26.4        5.0
  130   5   4   1 32.798  65.596   0.352    4.75   12       37.8       10.3
  131   2   0   4 32.875  65.751   0.352    4.72   12       11.0        0.9
  132   1   5   3 32.953  65.906   0.353    4.7    12        4.3        0.1
  133   5   1   3 32.953  65.906   0.353    4.7    12       20.2        2.9
  134   3   6   1 33.365  66.731   0.357    4.58   12        3.1        0.1
  135   6   3   1 33.365  66.731   0.357    4.58   12       39.3       10.8
  136   2   7   0 33.417  66.833   0.357    4.56    6      191.0      127.0
  137   7   2   0 33.417  66.833   0.357    4.56    6      151.6       80.0
  138   2   6   2 33.493  66.987   0.358    4.54   12       28.3        5.5
  139   6   2   2 33.493  66.987   0.358    4.54   12       67.5       31.6
  140   8   0   1 33.647  67.294   0.36     4.5    12       34.8        8.3
  141   1   2   4 33.723  67.446   0.36     4.47   12      174.4      207.6
  142   2   1   4 33.723  67.446   0.36     4.47   12       52.1       18.6
  143   3   0   4 34.283  68.565   0.366    4.32   12      100.9       67.2
  144   6   0   3 34.359  68.718   0.366    4.3    12        5.3        0.2
  145   2   7   1 34.486  68.971   0.368    4.27   12       60.4       23.8
  146   7   2   1 34.486  68.971   0.368    4.27   12       54.6       19.4
  147   3   4   3 34.637  69.273   0.369    4.23   12       44.3       12.7
  148   4   3   3 34.637  69.273   0.369    4.23   12       88.2       50.2
  149   1   7   2 34.889  69.777   0.371    4.17   12       83.2       44.1
  150   7   1   2 34.889  69.777   0.371    4.17   12      110.7       78.0
  151   1   8   0 35.089  70.179   0.373    4.12    6      106.3       35.6
  152   8   1   0 35.089  70.179   0.373    4.12    6       90.1       25.6
  153   2   2   4 35.114  70.228   0.373    4.12   12       46.5       13.6
  154   2   5   3 35.189  70.379   0.374    4.1    12       26.1        4.3
  155   5   2   3 35.189  70.379   0.374    4.1    12       22.2        3.1
  156   1   3   4 35.389  70.778   0.376    4.05   12        4.2        0.1
  157   3   1   4 35.389  70.778   0.376    4.05   12       97.1       58.3
  158   5   5   0 35.639  71.278   0.378    4.0     6       52.3        8.3
  159   4   6   0 35.912  71.825   0.381    3.94    6      114.4       39.3
  160   6   4   0 35.912  71.825   0.381    3.94    6      151.0       68.5
  161   4   5   2 35.987  71.973   0.381    3.92   12       55.9       18.7
  162   5   4   2 35.987  71.973   0.381    3.92   12       66.4       26.4
  163   1   8   1 36.135  72.271   0.383    3.89   12       72.9       31.6
  164   8   1   1 36.135  72.271   0.383    3.89   12       48.2       13.8
  165   4   0   4 36.209  72.418   0.383    3.88   12      142.0      119.2
  166   1   6   3 36.284  72.567   0.384    3.86   12       14.3        1.2
  167   6   1   3 36.284  72.567   0.384    3.86   12       26.8        4.2
  168   3   6   2 36.531  73.061   0.386    3.81   12       19.2        2.2
  169   6   3   2 36.531  73.061   0.386    3.81   12       74.5       32.2
  170   5   5   1 36.678  73.357   0.388    3.78   12        8.7        0.4
  171   3   7   0 36.728  73.455   0.388    3.77    6       70.6       14.4
  172   7   3   0 36.728  73.455   0.388    3.77    6      184.5       97.9
  173   8   0   2 36.801  73.603   0.389    3.76   12      105.1       63.4
  174   4   6   1 36.949  73.897   0.39     3.73   12        9.7        0.5
  175   6   4   1 36.949  73.897   0.39     3.73   12       53.0       16.0
  176   2   3   4 37.022  74.044   0.391    3.72   12      111.4       70.3
  177   3   2   4 37.022  74.044   0.391    3.72   12      107.5       65.6
  178   9   0   0 37.267  74.535   0.393    3.67    6      101.7       28.9
  179   1   4   4 37.56   75.12    0.396    3.62   12       60.1       20.0
  180   4   1   4 37.56   75.12    0.396    3.62   12      197.1      214.6
  181   2   7   2 37.609  75.218   0.396    3.61   12      190.6      200.1
  182   7   2   2 37.609  75.218   0.396    3.61   12       15.4        1.3
  183   4   4   3 37.633  75.267   0.396    3.61   12       33.8        6.3
  184   3   7   1 37.755  75.511   0.397    3.58   12       81.9       36.7
  185   7   3   1 37.755  75.511   0.397    3.58   12       55.0       16.6
  186   3   5   3 37.901  75.802   0.399    3.56   12       91.3       45.3
  187   5   3   3 37.901  75.802   0.399    3.56   12       77.4       32.6
  188   7   0   3 37.901  75.802   0.399    3.56   12       27.4        4.1
  189   2   8   0 38.072  76.143   0.4      3.53    6       29.7        2.4
  190   8   2   0 38.072  76.143   0.4      3.53    6        5.4        0.1
  191   9   0   1 38.29   76.58    0.402    3.5    12       20.4        2.2
  192   5   0   4 38.628  77.257   0.405    3.44   12       42.8        9.6
  193   2   6   3 38.701  77.402   0.406    3.43   12       42.6        9.5
  194   6   2   3 38.701  77.402   0.406    3.43   12       35.1        6.5
  195   2   8   1 39.087  78.175   0.409    3.38   12       39.6        8.1
  196   8   2   1 39.087  78.175   0.409    3.38   12       15.7        1.3
  197   3   3   4 39.159  78.318   0.41     3.37   12        8.6        0.4
  198   1   8   2 39.208  78.415   0.41     3.36   12       38.7        7.7
  199   8   1   2 39.208  78.415   0.41     3.36   12       87.5       39.3
  200   2   4   4 39.424  78.847   0.412    3.33   12       87.7       39.1
  201   4   2   4 39.424  78.847   0.412    3.33   12       14.9        1.1
  202   5   5   2 39.736  79.472   0.415    3.29   12      143.9      103.9
  203   1   9   0 39.928  79.856   0.417    3.26    6       74.8       13.9
  204   5   6   0 39.928  79.856   0.417    3.26    6      160.6       64.2
  205   6   5   0 39.928  79.856   0.417    3.26    6       79.8       15.9
  206   9   1   0 39.928  79.856   0.417    3.26    6       23.8        1.4
  207   4   6   2 40.0    80.0     0.417    3.25   12       15.9        1.3
  208   6   4   2 40.0    80.0     0.417    3.25   12       27.2        3.7
  209   1   7   3 40.024  80.047   0.417    3.25   12       24.9        3.1
  210   7   1   3 40.024  80.047   0.417    3.25   12        4.7        0.1
  211   1   5   4 40.215  80.43    0.419    3.23   12       88.9       38.9
  212   5   1   4 40.215  80.43    0.419    3.23   12      130.6       84.0
  213   4   7   0 40.454  80.908   0.421    3.2     6       14.0        0.5
  214   7   4   0 40.454  80.908   0.421    3.2     6       82.7       16.7
  215   3   7   2 40.788  81.576   0.424    3.16   12       26.1        3.3
  216   7   3   2 40.788  81.576   0.424    3.16   12      110.6       59.0
  217   1   9   1 40.931  81.862   0.425    3.15   12       48.0       11.1
  218   5   6   1 40.931  81.862   0.425    3.15   12       16.9        1.4
  219   6   5   1 40.931  81.862   0.425    3.15   12        5.1        0.1
  220   9   1   1 40.931  81.862   0.425    3.15   12       53.9       13.9
  221   4   5   3 41.074  82.148   0.426    3.13   12       27.4        3.6
  222   5   4   3 41.074  82.148   0.426    3.13   12       66.7       21.2
  223   9   0   2 41.312  82.624   0.429    3.11   12       11.3        0.6
  224   1   0   5 41.359  82.717   0.429    3.1    12       11.7        0.6
  225   4   7   1 41.455  82.909   0.43     3.09   12       13.7        0.9
  226   7   4   1 41.455  82.909   0.43     3.09   12        7.6        0.3
  227   3   8   0 41.502  83.004   0.43     3.09    6       19.3        0.9
  228   8   3   0 41.502  83.004   0.43     3.09    6       98.3       22.7
  229   6   0   4 41.525  83.051   0.43     3.08   12       10.9        0.6
  230   3   6   3 41.597  83.194   0.431    3.08   12       27.5        3.6
  231   6   3   3 41.597  83.194   0.431    3.08   12       21.5        2.2
  232   3   4   4 41.786  83.573   0.433    3.06   12       58.4       15.9
  233   4   3   4 41.786  83.573   0.433    3.06   12       92.2       39.7
  234   8   0   3 41.858  83.716   0.433    3.05   12       29.4        4.0
  235   1   1   5 41.881  83.762   0.433    3.05   12        2.8        0.0
  236   2   8   2 42.095  84.19    0.435    3.03   12      135.4       84.8
  237   8   2   2 42.095  84.19    0.435    3.03   12       42.3        8.3
  238   2   0   5 42.142  84.284   0.436    3.03   12       39.6        7.2
  239  10   0   0 42.285  84.57    0.437    3.01    6      139.8       44.9
  240   2   5   4 42.308  84.616   0.437    3.01   12       21.0        2.0
  241   5   2   4 42.308  84.616   0.437    3.01   12       42.5        8.3
  242   3   8   1 42.498  84.996   0.439    2.99   12       51.2       12.0
  243   8   3   1 42.498  84.996   0.439    2.99   12       50.0       11.4
  244   2   7   3 42.64   85.279   0.44     2.98   12       42.2        8.1
  245   7   2   3 42.64   85.279   0.44     2.98   12       68.1       21.1
  246   1   2   5 42.923  85.846   0.442    2.96   12       87.0       34.2
  247   2   1   5 42.923  85.846   0.442    2.96   12       46.5        9.8
  248   2   9   0 43.065  86.131   0.443    2.95    6       16.8        0.6
  249   9   2   0 43.065  86.131   0.443    2.95    6      159.9       57.6
  250  10   0   1 43.278  86.556   0.445    2.93   12       19.4        1.7
  251   1   6   4 43.348  86.697   0.446    2.93   12      114.0       58.1
  252   6   1   4 43.348  86.697   0.446    2.93   12       30.4        4.1
  253   3   0   5 43.443  86.885   0.446    2.92   12       15.8        1.1
  254   1   9   2 43.915  87.831   0.45     2.89   12       32.9        4.8
  255   5   6   2 43.915  87.831   0.45     2.89   12      227.1      227.4
  256   6   5   2 43.915  87.831   0.45     2.89   12       23.1        2.3
  257   9   1   2 43.915  87.831   0.45     2.89   12       85.6       32.3
  258   2   9   1 44.057  88.114   0.451    2.88   12       57.9       14.8
  259   9   2   1 44.057  88.114   0.451    2.88   12       23.3        2.4
  260   1   8   3 44.198  88.397   0.453    2.87   12       65.5       18.8
  261   8   1   3 44.198  88.397   0.453    2.87   12       62.4       17.1
  262   2   2   5 44.221  88.443   0.453    2.87   12       46.6        9.5
  263   6   6   0 44.364  88.727   0.454    2.86    6       59.2        7.7
  264   4   7   2 44.434  88.869   0.454    2.86   12       89.3       34.8
  265   7   4   2 44.434  88.869   0.454    2.86   12        6.5        0.2
  266   1   3   5 44.481  88.962   0.455    2.86   12       21.6        2.0
  267   3   1   5 44.481  88.962   0.455    2.86   12       46.7        9.5
  268   5   7   0 44.623  89.246   0.456    2.85    6        0.7        0.0
  269   7   5   0 44.623  89.246   0.456    2.85    6      119.4       31.0
  270   4   4   4 44.646  89.292   0.456    2.85   12      187.5      152.8
  271   5   5   3 44.717  89.434   0.457    2.84   12       15.4        1.0
  272   3   5   4 44.906  89.811   0.458    2.83   12      108.6       51.0
  273   5   3   4 44.906  89.811   0.458    2.83   12       35.2        5.3
  274   7   0   4 44.906  89.811   0.458    2.83   12        2.1        0.0
  275   4   6   3 44.977  89.953   0.459    2.83   12        4.6        0.1
  276   6   4   3 44.977  89.953   0.459    2.83   12       55.0       13.1


  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   0   0   3.858   7.716 11.4486      7399.8    100.0    100.0     5.6
    2   1   1   1  10.118  20.237  4.38452       95.0      1.3      1.3     5.6
    3   1   2   0  10.254  20.508  4.32716     2128.6     28.8     28.5     5.6
    4   2   0   1  10.843  21.687  4.09452      427.5      5.8      5.7     5.6
    5   3   0   0  11.645  23.29   3.8162       410.6      5.5      5.5     5.6
    6   1   2   1  12.785  25.57   3.48079      905.6     12.2     12.1     5.6
    7   2   2   0  13.478  26.956  3.30492      288.2      3.9      3.8     5.6
    8   3   1   0  14.039  28.079  3.17527      532.8      7.2      7.1     5.6
    9   2   2   1  15.521  31.042  2.87856      388.7      5.3      5.2     5.6
   10   4   0   0  15.612  31.225  2.86215      916.3     12.4     12.2     5.6
   11   3   1   1  16.017  32.034  2.79167      316.0      4.3      4.2     5.6
   12   1   1   2  16.714  33.429  2.67828      297.1      4.0      3.9     5.7
   13   2   3   0  17.054  34.108  2.62649      752.3     10.2     10.0     5.7
   14   4   0   1  17.429  34.858  2.57171       83.7      1.1      1.1     5.7
   15   4   1   0  17.958  35.916  2.49829      894.4     12.1     11.8     5.7
   16   1   2   2  18.513  37.027  2.42589     2052.2     27.7     27.2     5.7
   17   2   3   1  18.747  37.494  2.3967       196.6      2.7      2.6     5.7
   18   2   2   2  20.571  41.141  2.19226      318.0      4.3      4.2     5.7
   19   2   4   0  20.856  41.712  2.16358      120.6      1.6      1.6     5.7
   20   1   3   2  20.962  41.924  2.15314      139.1      1.9      1.8     5.7
   21   5   1   0  22.0    44.0    2.05623      268.0      3.6      3.5     5.7
   22   4   0   2  22.102  44.203  2.04726      220.4      3.0      2.9     5.7
   23   2   4   1  22.304  44.608  2.02962      128.9      1.7      1.7     5.7
   24   3   2   2  23.196  46.393  1.9556       581.4      7.9      7.6     5.7
   25   4   3   0  24.158  48.316  1.88214      163.3      2.2      2.1     5.7
   26   5   0   2  25.276  50.551  1.80405       75.9      1.0      1.0     5.8
   27   4   3   1  25.458  50.917  1.79195      114.0      1.5      1.5     5.8
   28   1   2   3  25.64   51.28   1.78012      115.6      1.6      1.5     5.8
   29   3   3   2  25.941  51.882  1.76086      437.0      5.9      5.7     5.8
   30   1   6   0  26.18   52.36   1.74589      140.2      1.9      1.8     5.8
   31   2   4   2  26.269  52.538  1.74039      728.8      9.8      9.5     5.8
   32   1   5   2  27.237  54.474  1.68303      573.1      7.7      7.4     5.8
   33   4   4   0  27.784  55.568  1.65246      302.0      4.1      3.9     5.8
   34   3   5   0  28.097  56.195  1.63551      149.0      2.0      1.9     5.8
   35   6   0   2  28.801  57.602  1.59886      323.2      4.4      4.2     5.8
   36   3   4   2  29.107  58.214  1.58349      105.2      1.4      1.4     5.8
   37   3   5   1  29.273  58.547  1.57529       84.7      1.1      1.1     5.8
   38   5   2   2  29.713  59.427  1.55404      268.1      3.6      3.5     5.8
   39   7   1   0  30.528  61.057  1.5164       249.5      3.4      3.2     5.8
   40   6   1   2  30.904  61.808  1.49976      307.8      4.2      4.0     5.8
   41   0   0   4  31.727  63.454  1.46478      251.0      3.4      3.2     5.9
   42   1   0   4  32.016  64.032  1.45293      102.4      1.4      1.3     5.9
   43   4   4   2  32.356  64.713  1.43928      354.9      4.8      4.5     5.9
   44   7   0   2  32.643  65.285  1.42804      108.0      1.5      1.4     5.9
   45   2   7   0  33.417  66.833  1.39867      207.0      2.8      2.6     5.9
   46   1   2   4  33.723  67.446  1.38744      226.2      3.1      2.9     5.9
   47   7   1   2  34.889  69.777  1.34669      122.1      1.6      1.5     5.9
   48   1   8   0  35.089  70.179  1.33996       74.7      1.0      0.9     5.9
   49   6   4   0  35.912  71.825  1.31324      107.8      1.5      1.4     5.9
   50   4   0   4  36.209  72.418  1.30394      119.2      1.6      1.5     5.9
   51   7   3   0  36.728  73.455  1.28807      112.3      1.5      1.4     6.0
   52   2   3   4  37.022  74.044  1.27928      135.9      1.8      1.7     6.0
   53   4   1   4  37.56   75.12   1.2636       234.5      3.2      2.9     6.0
   54   2   7   2  37.609  75.218  1.26219      207.7      2.8      2.6     6.0
   55   3   5   3  37.901  75.802  1.25391       82.0      1.1      1.0     6.0
   56   5   5   2  39.736  79.472  1.20497      103.9      1.4      1.3     6.0
   57   6   5   0  39.928  79.856  1.20014       95.4      1.3      1.2     6.0
   58   5   1   4  40.215  80.43   1.19302      123.0      1.7      1.5     6.0
   59   2   8   2  42.095  84.19   1.14905       93.0      1.3      1.1     6.1
   60   9   1   2  43.915  87.831  1.11056      266.9      3.6      3.2     6.2
   61   4   4   4  44.646  89.292  1.09613      183.8      2.5      2.2     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)