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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LAURIONITE

1, td-matlockite, f-laurionite

Pb(OH)Cl


Orthorhombic  P cmn  Z = 4

R =0.057          NR =686

29 .11 .1989

Ref.Str.:

         C.C. Venetopoulos, P.J. Pentzeperis (1975)

         * Z. Kristallogr., 141, 246-259

                   Initial data from BDM-file 

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

             a =   9.699    alpha =   90.0 
             b =   4.02     beta  =   90.0 
             c =   7.111    gamma =   90.0 

    Unit cell volume (cub. angs.) =   277.26

    Molar volume ( cub.cm/mol.) =    41.75

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

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

   1 0.0877  0.25    0.7974   0.0    Pb    = 1.00
   2 0.8202  0.25    0.5564   0.0    Cl    = 1.00
   3 0.0422  0.25    0.1223   0.0    O     = 1.00
   4 0.11    0.25    0.223    0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0877     0.25       0.7974
     2       2     0.8202     0.25       0.5564
     3       3     0.0422     0.25       0.1223
     4       4     0.11       0.25       0.223 
     5       1     0.9123     0.75       0.2026
     6       2     0.1798     0.75       0.4436
     7       3     0.9578     0.75       0.8777
     8       4     0.89       0.75       0.777 
     9       1     0.4123     0.25       0.2974
    10       2     0.6798     0.25       0.0564
    11       3     0.4578     0.25       0.6223
    12       4     0.39       0.25       0.723 
    13       1     0.5877     0.75       0.7026
    14       2     0.3202     0.75       0.9436
    15       3     0.5422     0.75       0.3777
    16       4     0.61       0.75       0.277 


X-ray density (g/cm cub.)   =      6.22

MU (1/cm) =    1800.904    Mass attenuation coefficient (cm**2/g) =    289.602

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

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

    1    Pb                  3.684        8
                                                 3.1094       2
                                                 2.3521       3
                                                 3.3418       2
                                                 3.3418       2
                                                 2.44         3
                                                 2.44         3
                                                 3.1947       2
                                                 3.1947       2
    2    Cl                  4.344       12
                                                 4.02         2
                                                 4.02         2
                                                 3.7636       3
                                                 4.1046       2
                                                 4.1046       2
                                                 3.3229       3
                                                 3.3229       3
                                                 3.8074       2
                                                 3.8073       2
                                                 3.546        3
                                                 3.5951       3
                                                 3.5951       3
    3    O                   3.804        8
                                                 3.7636       2
                                                 3.3229       2
                                                 3.3229       2
                                                 2.7813       3
                                                 2.7813       3
                                                 3.546        2
                                                 3.5951       2
                                                 3.5951       2
    4    H                   2.172        1
                                                 0.9722       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   1  8.973  17.946   0.087   79.28    4       74.6     2296.9
    2   2   0   0 10.629  21.257   0.103   55.88    2      126.9     2342.1
    3   2   0   1 12.9    25.8     0.125   37.27    4      230.1    10269.1
    4   1   1   0 13.937  27.874   0.135   31.64    4      114.8     2170.9
    5   0   0   2 14.57   29.141   0.141   28.78    2      206.1     3179.5
    6   1   0   2 15.542  31.084   0.15    25.06    4      111.2     1611.9
    7   1   1   1 15.767  31.534   0.152   24.3     8      228.0    13141.7
    8   3   0   1 17.693  35.386   0.17    18.92    4       52.2      268.7
    9   2   0   2 18.176  36.353   0.174   17.83    4      131.5     1605.2
   10   2   1   1 18.373  36.745   0.176   17.42    8      120.9     2648.9
   11   0   1   2 19.624  39.248   0.188   15.06    4      101.9      813.2
   12   1   1   2 20.382  40.764   0.195   13.84    8      155.8     3495.2
   13   3   1   0 20.796  41.591   0.198   13.23    4      307.4     6507.8
   14   4   0   0 21.647  43.294   0.206   12.09    2      163.6      842.7
   15   3   0   2 21.959  43.918   0.209   11.71    4      130.0     1030.4
   16   3   1   1 22.127  44.254   0.211   11.51    8       46.9      263.2
   17   2   1   2 22.53   45.06    0.214   11.05    8       69.7      559.3
   18   1   0   3 22.859  45.718   0.217   10.7     4      205.0     2338.4
   19   4   0   1 22.939  45.877   0.218   10.61    4      211.7     2474.4
   20   2   0   3 24.836  49.672   0.235    8.86    4      184.8     1575.5
   21   3   1   2 25.794  51.587   0.243    8.13    8      210.9     3763.3
   22   0   2   0 26.424  52.847   0.249    7.7     2      326.2     2129.9
   23   4   0   2 26.52   53.039   0.25     7.63    4      124.1      611.4
   24   1   1   3 26.594  53.189   0.25     7.58    8      136.6     1472.6
   25   4   1   1 26.666  53.331   0.251    7.54    8       35.0       96.0
   26   3   0   3 27.899  55.798   0.262    6.8     4       27.8       27.3
   27   1   2   1 28.135  56.269   0.264    6.67    8       60.9      257.8
   28   2   1   3 28.38   56.76    0.266    6.54    8      170.4     1976.3
   29   5   0   1 28.552  57.104   0.267    6.45    4       97.8      321.2
   30   2   2   0 28.797  57.595   0.269    6.33    4      105.7      367.9
   31   2   2   1 29.859  59.718   0.278    5.83    8      197.8     2375.6
   32   4   1   2 29.925  59.851   0.279    5.81    8       87.2      459.2
   33   0   0   4 30.208  60.416   0.281    5.69    2       83.4      103.0
   34   0   2   2 30.743  61.487   0.286    5.47    4      178.8      909.5
   35   1   0   4 30.765  61.531   0.286    5.46    4       86.7      213.3
   36   5   1   0 30.796  61.592   0.286    5.45    4      134.1      509.6
   37   3   1   3 31.206  62.413   0.29     5.29    8       29.6       48.3
   38   1   2   2 31.295  62.59    0.29     5.26    8       91.6      459.4
   39   5   0   2 31.686  63.373   0.294    5.11    4       21.6       12.4
   40   5   1   1 31.817  63.634   0.295    5.07    8      210.8     2343.9
   41   4   0   3 31.851  63.701   0.295    5.06    4      102.7      277.4
   42   2   0   4 32.404  64.808   0.3      4.87    4       23.7       14.3
   43   3   2   1 32.608  65.215   0.301    4.81    8       36.9       68.1
   44   2   2   2 32.919  65.837   0.304    4.71    8      110.0      593.5
   45   0   1   4 33.377  66.754   0.308    4.57    4      265.0     1670.6
   46   6   0   0 33.596  67.192   0.309    4.51    2      208.8      511.8
   47   1   1   4 33.905  67.81    0.312    4.42    8       38.6       68.5
   48   6   0   1 34.572  69.145   0.317    4.25    4       53.8       64.0
   49   5   1   2 34.782  69.564   0.319    4.2     8       57.8      146.1
   50   4   1   3 34.939  69.877   0.32     4.16    8      178.2     1375.3
   51   3   0   4 35.043  70.086   0.321    4.13    4      232.0     1158.1
   52   4   2   0 35.311  70.623   0.323    4.07    4      142.9      432.8
   53   2   1   4 35.467  70.935   0.324    4.04    8       78.4      258.3
   54   3   2   2 35.539  71.078   0.325    4.02    8      117.1      573.8
   55   1   2   3 36.207  72.414   0.33     3.88    8      175.7     1245.7
   56   4   2   1 36.267  72.534   0.331    3.86    8      186.4     1397.6
   57   5   0   3 36.572  73.144   0.333    3.8     4      155.4      477.6
   58   6   0   2 37.433  74.866   0.34     3.64    4      216.7      889.8
   59   6   1   1 37.554  75.108   0.341    3.62    8       14.7        8.2
   60   2   2   3 37.728  75.457   0.342    3.59    8      159.8      954.2
   61   3   1   4 38.01   76.019   0.344    3.54    8       78.4      226.7
   62   4   0   4 38.6    77.2     0.349    3.45    4       59.7       63.9
   63   4   2   2 39.079  78.158   0.352    3.38    8      109.7      422.8
   64   1   0   5 39.468  78.937   0.355    3.32    4      189.7      622.7
   65   5   1   3 39.496  78.992   0.356    3.32    8      155.4      834.8
   66   3   2   3 40.221  80.441   0.361    3.23    8       24.9       20.8
   67   6   1   2 40.337  80.674   0.362    3.21    8      146.3      715.9
   68   5   2   1 40.772  81.544   0.365    3.16    8       85.9      242.7
   69   2   0   5 40.951  81.902   0.366    3.14    4        5.6        0.5
   70   7   0   1 41.124  82.248   0.368    3.12    4       51.4       42.9
   71   4   1   4 41.481  82.962   0.37     3.09    8      130.4      546.5
   72   6   0   3 42.048  84.096   0.374    3.03    4        1.1        0.0
   73   0   2   4 42.198  84.397   0.375    3.02    4       76.6       92.2
   74   1   1   5 42.335  84.671   0.376    3.01    8       37.4       43.7
   75   1   3   0 42.365  84.729   0.377    3.01    4       91.4      130.7
   76   1   2   4 42.688  85.375   0.379    2.98    8       79.2      194.3
   77   5   0   4 43.037  86.075   0.382    2.95    4       99.1      150.8
   78   7   1   0 43.065  86.129   0.382    2.95    4      169.2      439.1
   79   1   3   1 43.274  86.548   0.383    2.93    8      178.1      968.2
   80   3   0   5 43.4    86.8     0.384    2.92    4       31.8       15.4
   81   5   2   2 43.506  87.012   0.385    2.92    8       22.2       15.0
   82   4   2   3 43.653  87.307   0.386    2.91    8       91.9      255.7
   83   2   1   5 43.801  87.602   0.387    2.9     8      188.7     1073.3
   84   7   0   2 43.855  87.711   0.387    2.89    4       72.0       78.1
   85   7   1   1 43.972  87.945   0.388    2.89    8      158.7      756.9
   86   2   2   4 44.152  88.304   0.389    2.88    8       23.4       16.4
   87   2   3   1 44.737  89.474   0.393    2.84    8       86.3      220.5
   88   6   1   3 44.89   89.78    0.395    2.83    8       27.9       23.0


  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   1   8.973  17.946  5.7348      2296.9     17.5     17.7     5.6
    2   2   0   0  10.629  21.257  4.8495      2342.1     17.8     18.0     5.6
    3   2   0   1  12.9    25.8    4.0065     10269.1     78.1     78.5     5.6
    4   1   1   0  13.937  27.874  3.71365     2170.9     16.5     16.6     5.6
    5   0   0   2  14.57   29.141  3.5555      3179.5     24.2     24.2     5.6
    6   1   0   2  15.542  31.084  3.33826     1611.9     12.3     12.3     5.6
    7   1   1   1  15.767  31.534  3.29179    13141.7    100.0    100.0     5.6
    8   3   0   1  17.693  35.386  2.9431       268.7      2.0      2.0     5.7
    9   2   0   2  18.176  36.353  2.8674      1605.2     12.2     12.2     5.7
   10   2   1   1  18.373  36.745  2.83779     2648.9     20.2     20.1     5.7
   11   0   1   2  19.624  39.248  2.66327      813.2      6.2      6.1     5.7
   12   1   1   2  20.382  40.764  2.56821     3495.2     26.6     26.4     5.7
   13   3   1   0  20.796  41.591  2.51934     6507.8     49.5     49.1     5.7
   14   4   0   0  21.647  43.294  2.42475      842.7      6.4      6.3     5.7
   15   3   0   2  21.959  43.918  2.39198     1030.4      7.8      7.7     5.7
   16   3   1   1  22.127  44.254  2.37471      263.2      2.0      2.0     5.7
   17   2   1   2  22.53   45.06   2.3344       559.3      4.3      4.2     5.7
   18   1   0   3  22.859  45.718  2.30257     2338.4     17.8     17.5     5.7
   19   4   0   1  22.939  45.877  2.295       2474.4     18.8     18.6     5.7
   20   2   0   3  24.836  49.672  2.12956     1575.5     12.0     11.8     5.7
   21   3   1   2  25.794  51.587  2.05561     3763.3     28.6     28.0     5.8
   22   0   2   0  26.424  52.847  2.01        2129.9     16.2     15.8     5.8
   23   4   0   2  26.52   53.039  2.00325      611.4      4.7      4.5     5.8
   24   1   1   3  26.594  53.189  1.99803     1472.6     11.2     11.0     5.8
   25   1   2   1  28.135  56.269  1.89686      257.8      2.0      1.9     5.8
   26   2   1   3  28.38   56.76   1.88182     1976.3     15.0     14.6     5.8
   27   5   0   1  28.552  57.104  1.87142      321.2      2.4      2.4     5.8
   28   2   2   0  28.797  57.595  1.85683      367.9      2.8      2.7     5.8
   29   2   2   1  29.859  59.718  1.79659     2375.6     18.1     17.5     5.8
   30   4   1   2  29.925  59.851  1.79297      459.2      3.5      3.4     5.8
   31   0   2   2  30.743  61.487  1.74975     1122.8      8.5      8.3     5.8
   32   5   1   0  30.796  61.592  1.74704      509.6      3.9      3.7     5.8
   33   1   2   2  31.295  62.59   1.72196      459.4      3.5      3.4     5.8
   34   5   1   1  31.817  63.634  1.69659     2343.9     17.8     17.2     5.9
   35   4   0   3  31.851  63.701  1.69499      277.4      2.1      2.0     5.9
   36   2   2   2  32.919  65.837  1.64589      593.5      4.5      4.3     5.9
   37   0   1   4  33.377  66.754  1.62586     1670.6     12.7     12.2     5.9
   38   6   0   0  33.596  67.192  1.6165       511.8      3.9      3.7     5.9
   39   5   1   2  34.782  69.564  1.56798      146.1      1.1      1.1     5.9
   40   4   1   3  34.939  69.877  1.56184     1375.3     10.5     10.0     5.9
   41   3   0   4  35.043  70.086  1.55777     1158.1      8.8      8.4     5.9
   42   4   2   0  35.311  70.623  1.54745      432.8      3.3      3.1     5.9
   43   2   1   4  35.467  70.935  1.54153      258.3      2.0      1.9     5.9
   44   3   2   2  35.539  71.078  1.53883      573.8      4.4      4.2     5.9
   45   1   2   3  36.207  72.414  1.51423     1245.7      9.5      9.0     5.9
   46   4   2   1  36.267  72.534  1.51207     1397.6     10.6     10.1     5.9
   47   5   0   3  36.572  73.144  1.50119      477.6      3.6      3.4     6.0
   48   6   0   2  37.433  74.866  1.47155      889.8      6.8      6.4     6.0
   49   2   2   3  37.728  75.457  1.46173      954.2      7.3      6.8     6.0
   50   3   1   4  38.01   76.019  1.45253      226.7      1.7      1.6     6.0
   51   4   2   2  39.079  78.158  1.41889      422.8      3.2      3.0     6.0
   52   5   1   3  39.496  78.992  1.40633     1457.6     11.1     10.4     6.0
   53   6   1   2  40.337  80.674  1.38188      715.9      5.4      5.1     6.1
   54   5   2   1  40.772  81.544  1.36967      242.7      1.8      1.7     6.1
   55   4   1   4  41.481  82.962  1.35039      546.5      4.2      3.9     6.1
   56   1   3   0  42.365  84.729  1.32739      174.5      1.3      1.2     6.1
   57   1   2   4  42.688  85.375  1.31926      194.3      1.5      1.4     6.1
   58   7   1   0  43.065  86.129  1.30995      590.0      4.5      4.1     6.1
   59   1   3   1  43.274  86.548  1.30485      968.2      7.4      6.8     6.1
   60   4   2   3  43.653  87.307  1.29577      255.7      1.9      1.8     6.2
   61   2   1   5  43.801  87.602  1.29229     1073.3      8.2      7.5     6.2
   62   7   1   1  43.972  87.945  1.28827      756.9      5.8      5.3     6.2
   63   2   3   1  44.737  89.474  1.27081      220.5      1.7      1.5     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)