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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PLUMBOSELITE

1

Pb(3)O(2)[SeO(3)]


Orthorhombic  C mc2(1)  Z = 4

R =0.0371          NR =258

22 .12 .10

Ref.Str.:

         Kampf A.R., Mills S.J., Pinch W.W. (2010)

         * Mineral. Petrol., s00710-010-0137-3

         R: from the Tsumeb, Namibia.

         N.A.D.

                   Initial data from BDM-file 

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

             a =  10.5384   alpha =   90.0 
             b =  10.7452   beta  =   90.0 
             c =   5.7577   gamma =   90.0 

    Unit cell volume (cub. angs.) =   651.99

    Molar volume ( cub.cm/mol.) =    98.18

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

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

   1 0.0     0.8816  0.814    0.0    Pb    = 1.00
   2 0.2479  0.1123  0.8125   0.0    Pb    = 1.00
   3 0.5     0.8698  0.8652   0.0    Se    = 1.00
   4 0.138   0.0     0.048    0.0    O     = 1.00
   5 0.5     0.723   0.765    0.0    O     = 1.00
   6 0.624   0.93    0.717    0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.8816     0.814 
     2       2     0.2479     0.1123     0.8125
     3       3     0.5        0.8698     0.8652
     4       4     0.138      0.0        0.048 
     5       5     0.5        0.723      0.765 
     6       6     0.624      0.93       0.717 
     7       1     0.0        0.1184     0.314 
     8       2     0.7521     0.8877     0.3125
     9       3     0.5        0.1302     0.3652
    10       4     0.862      0.0        0.548 
    11       5     0.5        0.277      0.265 
    12       6     0.376      0.07       0.217 
    13       2     0.7521     0.1123     0.8125
    14       4     0.862      0.0        0.048 
    15       6     0.376      0.93       0.717 
    16       2     0.2479     0.8877     0.3125
    17       4     0.138      0.0        0.548 
    18       6     0.624      0.07       0.217 
    19       1     0.5        0.6184     0.314 
    20       2     0.2521     0.3877     0.3125
    21       3     0.0        0.6302     0.3652
    22       4     0.362      0.5        0.548 
    23       5     0.0        0.777      0.265 
    24       6     0.876      0.57       0.217 
    25       1     0.5        0.3816     0.814 
    26       2     0.7479     0.6123     0.8125
    27       3     0.0        0.3698     0.8652
    28       4     0.638      0.5        0.048 
    29       5     0.0        0.223      0.765 
    30       6     0.124      0.43       0.717 
    31       2     0.7479     0.3877     0.3125
    32       4     0.638      0.5        0.548 
    33       6     0.124      0.57       0.217 
    34       2     0.2521     0.6123     0.8125
    35       4     0.362      0.5        0.048 
    36       6     0.876      0.43       0.717 


X-ray density (g/cm cub.)   =      7.95

MU (1/cm) =    2241.483    Mass attenuation coefficient (cm**2/g) =    281.97 

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

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

    1    Pb                  3.144        5
                                                 2.3556       4
                                                 2.4656       4
                                                 2.3556       4
                                                 2.4656       4
                                                 2.8295       5
    2    Pb                  3.144        5
                                                 2.1535       4
                                                 2.7299       6
                                                 2.4417       6
                                                 2.2624       4
                                                 2.8838       5
    3    Se                  2.46         3
                                                 1.6796       5
                                                 1.6894       6
                                                 1.6894       6
    4    O                   3.264        7
                                                 2.7934       6
                                                 2.9086       4
                                                 3.2386       6
                                                 2.8788       4
                                                 2.8788       4
                                                 3.0688       5
                                                 3.2422       5
    5    O                   3.264        6
                                                 2.5945       6
                                                 2.5945       6
                                                 3.0688       4
                                                 3.2422       4
                                                 3.0688       4
                                                 3.2422       4
    6    O                   3.264        6
                                                 2.5945       5
                                                 2.7934       4
                                                 3.2386       4
                                                 2.6135       6
                                                 3.2482       6
                                                 3.2482       6

  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   1   0  6.828  13.655   0.066  138.55    4      157.2     3222.4
    2   0   2   0  9.584  19.167   0.093   69.23    2      185.2     1117.3
    3   2   0   0  9.773  19.547   0.095   66.49    2      164.7      848.9
    4   1   1   1 11.281  22.562   0.109   49.37    8       77.1      552.2
    5   0   2   1 13.162  26.324   0.127   35.72    4      156.7      825.1
    6   2   2   0 13.755  27.51    0.133   32.54    4      111.9      383.7
    7   1   3   0 15.293  30.586   0.147   25.95    4       83.0      168.0
    8   3   1   0 15.539  31.078   0.15    25.07    4      112.0      296.2
    9   2   2   1 16.5    33.0     0.159   22.02    8      968.1    38845.8
   10   1   3   1 17.825  35.65    0.171   18.61    8      145.7      743.5
   11   3   1   1 18.04   36.079   0.173   18.13    8      122.7      514.1
   12   0   0   2 18.101  36.203   0.174   17.99    2      938.7     7459.6
   13   1   1   2 19.431  38.862   0.186   15.39    8      117.0      396.7
   14   0   4   0 19.449  38.898   0.186   15.36    2      868.1     5445.5
   15   4   0   0 19.847  39.693   0.19    14.68    2      885.5     5418.0
   16   0   2   2 20.64   41.28    0.197   13.46    4       55.1       38.5
   17   2   0   2 20.735  41.47    0.198   13.32    4      176.5      390.6
   18   3   3   0 20.895  41.789   0.199   13.09    4      118.0      171.5
   19   0   4   1 21.557  43.114   0.205   12.21    4       97.0      108.2
   20   2   4   0 21.947  43.894   0.209   11.73    4      155.4      266.4
   21   4   2   0 22.218  44.436   0.211   11.41    4       13.3        1.9
   22   3   3   1 22.893  45.787   0.217   10.66    8      215.4      931.2
   23   2   2   2 23.032  46.063   0.219   10.52    8       78.9      123.3
   24   2   4   1 23.875  47.75    0.226    9.69    8      213.4      831.0
   25   1   3   2 24.051  48.103   0.228    9.53    8      156.4      438.6
   26   4   2   1 24.129  48.259   0.229    9.46    8      205.3      750.5
   27   3   1   2 24.22   48.44    0.229    9.38    8      187.3      619.6
   28   1   5   0 25.137  50.273   0.237    8.62    4      112.1      101.9
   29   5   1   0 25.624  51.249   0.242    8.25    4      166.4      215.0
   30   1   5   1 26.891  53.782   0.253    7.39    8      102.3      145.8
   31   0   4   2 27.092  54.184   0.255    7.27    4      859.5     5053.7
   32   5   1   1 27.356  54.713   0.257    7.11    8       81.1       88.0
   33   4   0   2 27.401  54.802   0.257    7.09    4      897.5     5370.8
   34   3   3   2 28.23   56.459   0.264    6.62    8       72.3       65.2
   35   4   4   0 28.394  56.788   0.266    6.54    4      852.0     4463.7
   36   1   1   3 28.749  57.498   0.269    6.35    8      125.4      188.0
   37   2   4   2 29.08   58.159   0.272    6.19    8      189.1      416.7
   38   3   5   0 29.204  58.408   0.273    6.13    4      170.7      168.2
   39   4   2   2 29.301  58.603   0.274    6.09    8      109.9      138.4
   40   5   3   0 29.499  58.998   0.275    6.0     4      113.9       73.2
   41   0   2   3 29.663  59.326   0.277    5.92    4      216.1      260.3
   42   0   6   0 29.964  59.928   0.279    5.79    2      281.3      215.5
   43   4   4   1 30.018  60.035   0.28     5.77    8      146.6      233.3
   44   6   0   0 30.614  61.229   0.285    5.52    2      122.7       39.1
   45   3   5   1 30.801  61.602   0.286    5.44    8       68.5       48.0
   46   5   3   1 31.086  62.173   0.289    5.33    8      151.3      229.9
   47   0   6   1 31.538  63.075   0.292    5.17    4      119.4       69.3
   48   2   2   3 31.547  63.094   0.292    5.16    8      793.0     6112.1
   49   1   5   2 31.755  63.509   0.294    5.09    8      177.4      301.5
   50   2   6   0 31.838  63.675   0.295    5.06    4      171.0      139.2
   51   5   1   2 32.175  64.35    0.298    4.95    8      188.1      329.3
   52   1   3   3 32.379  64.757   0.299    4.88    8      174.5      279.8
   53   6   2   0 32.397  64.794   0.299    4.87    4       64.6       19.1
   54   3   1   3 32.518  65.035   0.3      4.84    8      139.1      176.0
   55   2   6   1 33.361  66.722   0.307    4.58    8      770.8     5119.0
   56   6   2   1 33.907  67.814   0.312    4.42    8      803.6     5376.7
   57   4   4   2 34.614  69.227   0.318    4.24    8      731.7     4271.9
   58   0   4   3 34.944  69.888   0.32     4.16    4      126.9       63.0
   59   3   5   2 35.342  70.683   0.323    4.06    8      115.6      102.2
   60   5   3   2 35.608  71.216   0.325    4.0     8      108.0       88.0
   61   3   3   3 35.934  71.869   0.328    3.93    8      191.0      270.0
   62   0   6   2 36.03   72.06    0.329    3.91    4      312.8      360.2
   63   1   7   0 36.075  72.151   0.329    3.9     4       65.3       15.7
   64   5   5   0 36.471  72.942   0.332    3.82    4      188.0      127.1
   65   6   0   2 36.624  73.247   0.333    3.79    4      176.2      110.8
   66   2   4   3 36.684  73.368   0.334    3.78    8      187.7      250.6
   67   7   1   0 36.865  73.731   0.335    3.75    4       94.1       31.2
   68   4   2   3 36.881  73.762   0.335    3.74    8      209.7      309.8
   69   4   6   0 37.151  74.302   0.338    3.69    4      267.4      248.5
   70   6   4   0 37.478  74.955   0.34     3.63    4      151.2       78.1
   71   1   7   1 37.517  75.034   0.34     3.63    8      153.5      160.8
   72   2   6   2 37.75   75.5     0.342    3.59    8      170.3      195.7
   73   5   5   1 37.907  75.814   0.343    3.56    8       46.9       14.7
   74   6   2   2 38.269  76.537   0.346    3.5     8       83.7       46.2
   75   7   1   1 38.296  76.592   0.346    3.5     8      105.9       73.7
   76   0   0   4 38.419  76.837   0.347    3.48    2      734.0      881.2
   77   4   6   1 38.578  77.156   0.349    3.45    8       86.2       48.3
   78   6   4   1 38.901  77.801   0.351    3.4     8      180.3      208.3
   79   1   5   3 39.094  78.187   0.352    3.38    8      117.8       88.1
   80   1   1   4 39.247  78.495   0.354    3.35    8      197.0      244.9
   81   5   1   3 39.479  78.958   0.355    3.32    8      103.2       66.6
   82   3   7   0 39.487  78.974   0.355    3.32    4       22.8        1.6
   83   0   2   4 40.04   80.079   0.36     3.25    4       99.5       30.3
   84   2   0   4 40.103  80.207   0.36     3.24    4      223.5      152.3
   85   7   3   0 40.127  80.254   0.36     3.24    4       37.9        4.4
   86   3   7   1 40.89   81.779   0.366    3.15    8      170.3      171.8
   87   7   3   1 41.525  83.049   0.371    3.08    8      160.6      149.8
   88   2   2   4 41.708  83.416   0.372    3.07    8       63.6       23.4
   89   1   7   2 41.743  83.486   0.372    3.06    8       59.2       20.2
   90   4   4   3 41.746  83.493   0.372    3.06    8       99.9       57.5
   91   0   8   0 41.755  83.509   0.372    3.06    2      664.9      636.7
   92   5   5   2 42.123  84.246   0.375    3.03    8      166.9      158.6
   93   3   5   3 42.434  84.868   0.377    3.0     8      111.1       69.7
   94   1   3   4 42.459  84.918   0.377    3.0     8      124.6       87.6
   95   7   1   2 42.502  85.004   0.378    2.99    8       62.5       22.0
   96   3   1   4 42.585  85.17    0.378    2.99    8      119.7       80.5
   97   5   3   3 42.687  85.373   0.379    2.98    8      142.5      113.9
   98   8   0   0 42.766  85.533   0.38     2.97    2      813.7      926.1
   99   4   6   2 42.778  85.556   0.38     2.97    8      222.8      277.5
  100   0   6   3 43.088  86.177   0.382    2.95    4      148.9       61.5
  101   6   4   2 43.093  86.187   0.382    2.95    8      146.9      119.6
  102   0   8   1 43.143  86.286   0.382    2.94    4      218.1      131.7
  103   2   8   0 43.412  86.824   0.384    2.92    4       69.4       13.2
  104   8   2   0 44.357  88.713   0.391    2.86    4      106.6       30.6
  105   2   6   3 44.741  89.482   0.393    2.84    8      660.3     2331.6
  106   2   8   1 44.795  89.591   0.394    2.84    8      303.3      491.3
  107   0   4   4 44.829  89.657   0.394    2.84    4      635.4     1077.9


  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   1   0   6.828  13.655  7.52382     3222.4      8.3      8.4     5.6
    2   0   2   0   9.584  19.167  5.3726      1117.3      2.9      2.9     5.6
    3   2   0   0   9.773  19.547  5.2692       848.9      2.2      2.2     5.6
    4   1   1   1  11.281  22.562  4.57245      552.2      1.4      1.4     5.6
    5   0   2   1  13.162  26.324  3.92809      825.1      2.1      2.1     5.6
    6   2   2   1  16.5    33.0    3.14929    38845.8    100.0    100.0     5.6
    7   1   3   1  17.825  35.65   2.92204      743.5      1.9      1.9     5.7
    8   3   1   1  18.04   36.079  2.88838      514.1      1.3      1.3     5.7
    9   0   0   2  18.101  36.203  2.87885     7459.6     19.2     19.1     5.7
   10   0   4   0  19.449  38.898  2.6863      5842.3     15.0     15.0     5.7
   11   4   0   0  19.847  39.693  2.6346      5418.0     13.9     13.9     5.7
   12   2   0   2  20.735  41.47   2.52637      390.6      1.0      1.0     5.7
   13   3   3   1  22.893  45.787  2.29929      931.2      2.4      2.4     5.7
   14   2   4   1  23.875  47.75   2.20993      831.0      2.1      2.1     5.7
   15   1   3   2  24.051  48.103  2.19469      438.6      1.1      1.1     5.7
   16   4   2   1  24.129  48.259  2.18803      750.5      1.9      1.9     5.7
   17   3   1   2  24.22   48.44   2.18031      619.6      1.6      1.6     5.7
   18   0   4   2  27.092  54.184  1.96405     5053.7     13.0     12.7     5.8
   19   4   0   2  27.401  54.802  1.94357     5370.8     13.8     13.5     5.8
   20   4   4   0  28.394  56.788  1.88096     4463.7     11.5     11.2     5.8
   21   2   4   2  29.08   58.159  1.84036      416.7      1.1      1.0     5.8
   22   2   2   3  31.547  63.094  1.7096      6181.4     15.9     15.4     5.9
   23   2   6   1  33.361  66.722  1.62654     5119.0     13.2     12.6     5.9
   24   6   2   1  33.907  67.814  1.60341     5376.7     13.8     13.3     5.9
   25   4   4   2  34.614  69.227  1.57465     4271.9     11.0     10.5     5.9
   26   0   0   4  38.419  76.837  1.43943      881.2      2.3      2.1     6.0
   27   0   8   0  41.755  83.509  1.34315      714.4      1.8      1.7     6.1
   28   8   0   0  42.766  85.533  1.3173      1203.6      3.1      2.9     6.1
   29   2   6   3  44.741  89.482  1.27072     2331.6      6.0      5.5     6.2
   30   2   8   1  44.795  89.591  1.2695       491.3      1.3      1.2     6.2
   31   0   4   4  44.829  89.657  1.26876     1077.9      2.8      2.5     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)