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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PALMIERITE

2, syn, t-palmierite

PbK(2)[SO(4)](2)


Hexagonal  R 3(-)m  Z = 3

R3(-)m

26 .11 .15

Ref.Str.:

         Tissot R.G., Rodriguez M.A., Sipola D.L., Voigt J.A. (2001)

         * Powder Diffraction, 16, 92-97

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   5.497    alpha =   90.0 
             b =   5.497    beta  =   90.0 
             c =  20.864    gamma =  120.0 

    Unit cell volume (cub. angs.) =   545.98

    Molar volume ( cub.cm/mol.) =   109.62

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

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

   1 0.0     0.0     0.0      0.0    Pb    = 1.00
   2 0.3333  0.6667  0.465    0.0    K     = 1.00
   3 0.0     0.0     0.4033   0.0    S     = 1.00
   4 0.0     0.0     0.333    0.0    O     = 1.00
   5 0.296   0.148   0.427    0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.0   
     2       2     0.3333     0.6667     0.465 
     3       3     0.0        0.0        0.4033
     4       4     0.0        0.0        0.333 
     5       5     0.296      0.148      0.427 
     6       5     0.852      0.148      0.427 
     7       5     0.852      0.704      0.427 
     8       1     0.6667     0.3333     0.3333
     9       1     0.3333     0.6667     0.6667
    10       2     0.0        0.0        0.7983
    11       2     0.6667     0.3334     0.1317
    12       3     0.6667     0.3333     0.7366
    13       3     0.3333     0.6667     0.07  
    14       4     0.6667     0.3333     0.6663
    15       4     0.3333     0.6667     0.9997
    16       5     0.5187     0.4813     0.7603
    17       5     0.1853     0.3707     0.0937
    18       5     0.5187     0.0373     0.7603
    19       5     0.6293     0.8147     0.0937
    20       5     0.9627     0.4813     0.7603
    21       5     0.1853     0.8147     0.0937
    22       2     0.6667     0.3333     0.535 
    23       3     0.0        0.0        0.5967
    24       4     0.0        0.0        0.667 
    25       5     0.704      0.852      0.573 
    26       5     0.148      0.852      0.573 
    27       5     0.148      0.296      0.573 
    28       2     0.0        0.0        0.2017
    29       2     0.3333     0.6666     0.8683
    30       3     0.3333     0.6667     0.2634
    31       3     0.6667     0.3333     0.93  
    32       4     0.3333     0.6667     0.3337
    33       4     0.6667     0.3333     0.0003
    34       5     0.4813     0.5187     0.2397
    35       5     0.8147     0.6293     0.9063
    36       5     0.4813     0.9627     0.2397
    37       5     0.3707     0.1853     0.9063
    38       5     0.0373     0.5187     0.2397
    39       5     0.8147     0.1853     0.9063


X-ray density (g/cm cub.)   =      4.36

MU (1/cm) =     605.986    Mass attenuation coefficient (cm**2/g) =    139.134

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

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

    1    Pb                  3.144        6
                                                 2.6329       5
                                                 2.633        5
                                                 2.6329       5
                                                 2.6329       5
                                                 2.633        5
                                                 2.6329       5
    2    K                   3.228       10
                                                 2.8658       5
                                                 2.8663       5
                                                 2.8661       5
                                                 2.8661       5
                                                 2.8664       5
                                                 2.8658       5
                                                 2.8621       5
                                                 2.8619       5
                                                 2.8621       5
                                                 2.7401       4
    3    S                   1.98         4
                                                 1.4667       4
                                                 1.4934       5
                                                 1.4933       5
                                                 1.4934       5
    4    O                   3.264        6
                                                 2.415        5
                                                 2.4149       5
                                                 2.415        5
                                                 3.1737       4
                                                 3.1737       4
                                                 3.1737       4
    5    O                   3.264        5
                                                 2.415        4
                                                 3.0564       5
                                                 2.4406       5
                                                 3.0564       5
                                                 2.4406       5

  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   0   0   3  6.359  12.718   0.072  160.07    2      181.4     3535.5
    2   1   0   1  9.553  19.106   0.108   69.69    6      132.6     2464.9
    3   1   0  -2 10.245  20.49    0.115   60.31    6      186.1     4206.1
    4   1   0   4 12.654  25.308   0.142   38.81    6      128.0     1279.0
    5   0   0   6 12.798  25.596   0.144   37.9     2       92.3      216.6
    6   1   0  -5 14.21   28.419   0.159   30.36    6      356.8     7780.5
    7   1   1   0 16.275  32.551   0.182   22.69    6      362.8     6011.5
    8   1   1   3 17.539  35.077   0.196   19.28   12      185.3     2665.5
    9   1   0   7 17.753  35.505   0.198   18.78    6      165.8     1039.5
   10   2   0  -1 19.009  38.017   0.211   16.16    6      150.4      736.0
   11   2   0   2 19.386  38.772   0.215   15.47    6       38.5       46.2
   12   0   0   9 19.407  38.813   0.216   15.43    2      263.6      719.6
   13   1   0  -8 19.68   39.36    0.219   14.96    6       85.5      220.0
   14   2   0  -4 20.837  41.674   0.231   13.17    6      235.6     1471.5
   15   1   1   6 20.93   41.86    0.232   13.04   12      206.1     2230.2
   16   2   0   5 21.873  43.747   0.242   11.82    6      336.0     2685.2
   17   1   0  10 23.772  47.543   0.262    9.79    6      313.6     1937.2
   18   2   0  -7 24.465  48.93    0.269    9.17    6       95.0      166.6
   19   2   1   1 25.448  50.895   0.279    8.38   12      157.9      841.2
   20   2   1  -2 25.748  51.496   0.282    8.16   12      145.0      691.0
   21   1   1   9 25.765  51.53    0.282    8.15   12      176.9     1026.7
   22   1   0 -11 25.923  51.845   0.284    8.04    6      129.8      272.6
   23   2   0   8 25.985  51.969   0.284    8.0     6      180.3      523.0
   24   0   0  12 26.297  52.595   0.288    7.78    2      224.0      261.8
   25   2   1   4 26.927  53.854   0.294    7.37   12      112.2      373.9
   26   2   1  -5 27.788  55.576   0.303    6.86   12      253.5     1774.9
   27   3   0   0 29.04   58.079   0.315    6.21    6      286.3     1024.5
   28   2   0 -10 29.403  58.805   0.319    6.04    6      221.5      596.7
   29   3   0  -3 29.861  59.721   0.323    5.83    6      125.8      185.8
   30   3   0   3 29.861  59.721   0.323    5.83    6      186.3      407.6
   31   2   1   7 30.004  60.007   0.325    5.77   12      114.3      303.6
   32   1   0  13 30.43   60.861   0.329    5.59    6       85.6       82.6
   33   2   0  11 31.284  62.568   0.337    5.26    6       73.7       57.6
   34   2   1  -8 31.339  62.677   0.338    5.24   12      103.3      225.0
   35   1   1  12 31.616  63.233   0.34     5.14   12      143.6      426.4
   36   3   0  -6 32.247  64.494   0.346    4.92    6      185.0      339.3
   37   3   0   6 32.247  64.494   0.346    4.92    6      163.3      264.2
   38   1   0 -14 32.793  65.586   0.352    4.75    6      165.6      262.1
   39   0   0  15 33.627  67.254   0.359    4.5     2      237.2      169.9
   40   2   2   0 34.091  68.182   0.364    4.37    6      341.1     1024.6
   41   2   1  10 34.423  68.847   0.367    4.29   12      282.9     1381.1
   42   2   2   3 34.844  69.688   0.371    4.18   12      131.8      292.5
   43   2   0 -13 35.37   70.74    0.376    4.06    6      146.8      176.0
   44   3   1  -1 35.772  71.544   0.379    3.97   12      112.1      200.8
   45   3   1   2 36.019  72.038   0.382    3.92   12      125.0      246.1
   46   3   0  -9 36.033  72.065   0.382    3.91    6      171.6      231.9
   47   3   0   9 36.033  72.065   0.382    3.91    6      128.5      130.0
   48   2   1 -11 36.163  72.325   0.383    3.89   12      133.6      279.1
   49   3   1  -4 36.999  73.997   0.391    3.72   12      117.4      206.3
   50   2   2   6 37.063  74.126   0.391    3.71   12       97.7      142.4
   51   2   0  14 37.576  75.152   0.396    3.62    6      104.6       79.6
   52   3   1   5 37.727  75.455   0.397    3.59   12      251.6      914.9
   53   1   0  16 37.768  75.536   0.398    3.58    6      101.1       73.7
   54   1   1  15 38.365  76.729   0.403    3.49   12      283.8     1130.1
   55   3   1  -7 39.648  79.297   0.414    3.3    12      123.9      203.9
   56   2   1  13 40.026  80.051   0.417    3.25   12       99.0      128.2
   57   1   0 -17 40.402  80.804   0.421    3.21    6      105.2       71.5
   58   4   0   1 40.411  80.823   0.421    3.2     6      119.1       91.4
   59   4   0  -2 40.649  81.297   0.423    3.18    6       68.1       29.6
   60   2   2   9 40.662  81.324   0.423    3.18   12      176.1      396.2
   61   3   1   8 40.836  81.673   0.424    3.16   12       90.9      104.9
   62   3   0 -12 41.086  82.172   0.427    3.13    6      110.4       76.7
   63   3   0  12 41.086  82.172   0.427    3.13    6      142.4      127.8
   64   4   0   4 41.594  83.189   0.431    3.08    6      157.4      153.3
   65   0   0  18 41.647  83.295   0.431    3.07    2      101.5       21.2
   66   2   1 -14 42.154  84.309   0.436    3.02   12      128.0      199.5
   67   4   0  -5 42.301  84.603   0.437    3.01    6      246.9      369.3
   68   2   0 -16 42.341  84.682   0.437    3.01    6      122.3       90.5
   69   3   1 -10 43.662  87.324   0.448    2.91   12      235.1      646.6
   70   4   0   7 44.18   88.359   0.452    2.87    6       90.5       47.4
   71   2   0  17 44.922  89.844   0.458    2.83    6      152.7      132.8
   72   3   2   1 44.931  89.862   0.458    2.83   12       82.3       77.2


  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   0   0   3   6.359  12.718  6.95467     3535.5     45.4     45.9     5.6
    2   1   0   1   9.553  19.106  4.64126     2464.9     31.7     31.9     5.6
    3   1   0   2  10.245  20.49   4.3309      4206.1     54.1     54.4     5.6
    4   1   0   4  12.654  25.308  3.51623     1279.0     16.4     16.5     5.6
    5   0   0   6  12.798  25.596  3.47733      216.6      2.8      2.8     5.6
    6   1   0   5  14.21   28.419  3.13796     7780.5    100.0    100.0     5.6
    7   1   1   0  16.275  32.551  2.7485      6011.5     77.3     77.0     5.6
    8   1   1   3  17.539  35.077  2.55613     2665.5     34.3     34.1     5.7
    9   1   0   7  17.753  35.505  2.52627     1039.5     13.4     13.3     5.7
   10   2   0   1  19.009  38.017  2.36493      736.0      9.5      9.4     5.7
   11   0   0   9  19.407  38.813  2.31822      765.8      9.8      9.8     5.7
   12   1   0   8  19.68   39.36   2.28726      220.0      2.8      2.8     5.7
   13   2   0   4  20.837  41.674  2.16545     1471.5     18.9     18.7     5.7
   14   1   1   6  20.93   41.86   2.15627     2230.2     28.7     28.3     5.7
   15   2   0   5  21.873  43.747  2.06755     2685.2     34.5     34.0     5.7
   16   1   0  10  23.772  47.543  1.91093     1937.2     24.9     24.4     5.7
   17   2   0   7  24.465  48.93   1.85995      166.6      2.1      2.1     5.7
   18   2   1   1  25.448  50.895  1.79266      841.2     10.8     10.6     5.8
   19   1   1   9  25.765  51.53   1.77206     1717.7     22.1     21.6     5.8
   20   1   0  11  25.923  51.845  1.76202      272.6      3.5      3.4     5.8
   21   2   0   8  25.985  51.969  1.75811      523.0      6.7      6.6     5.8
   22   0   0  12  26.297  52.595  1.73867      261.8      3.4      3.3     5.8
   23   2   1   4  26.927  53.854  1.70095      373.9      4.8      4.7     5.8
   24   2   1   5  27.788  55.576  1.65225     1774.9     22.8     22.2     5.8
   25   3   0   0  29.04   58.079  1.58685     1024.5     13.2     12.8     5.8
   26   2   0  10  29.403  58.805  1.56898      596.7      7.7      7.4     5.8
   27   3   0   3  29.861  59.721  1.54709      593.5      7.6      7.4     5.8
   28   2   1   7  30.004  60.007  1.54039      303.6      3.9      3.8     5.8
   29   1   0  13  30.43   60.861  1.52082       82.6      1.1      1.0     5.8
   30   2   1   8  31.339  62.677  1.48104      225.0      2.9      2.8     5.8
   31   1   1  12  31.616  63.233  1.46935      426.4      5.5      5.3     5.9
   32   3   0   6  32.247  64.494  1.44363      603.5      7.8      7.4     5.9
   33   1   0  14  32.793  65.586  1.42223      262.1      3.4      3.2     5.9
   34   0   0  15  33.627  67.254  1.39093      169.9      2.2      2.1     5.9
   35   2   2   0  34.091  68.182  1.37425     1024.6     13.2     12.6     5.9
   36   2   1  10  34.423  68.847  1.3626      1381.1     17.8     16.9     5.9
   37   2   2   3  34.844  69.688  1.34818      292.5      3.8      3.6     5.9
   38   2   0  13  35.37   70.74   1.33069      176.0      2.3      2.1     5.9
   39   3   1   1  35.772  71.544  1.3177       200.8      2.6      2.4     5.9
   40   3   1   2  36.019  72.038  1.30989      608.0      7.8      7.4     5.9
   41   2   1  11  36.163  72.325  1.30539      279.1      3.6      3.4     5.9
   42   3   1   4  36.999  73.997  1.27997      206.3      2.7      2.5     6.0
   43   2   2   6  37.063  74.126  1.27806      142.4      1.8      1.7     6.0
   44   2   0  14  37.576  75.152  1.26314       79.6      1.0      1.0     6.0
   45   3   1   5  37.727  75.455  1.25882      914.9     11.8     11.1     6.0
   46   1   1  15  38.365  76.729  1.24106     1130.1     14.5     13.6     6.0
   47   3   1   7  39.648  79.297  1.20719      203.9      2.6      2.4     6.0
   48   2   1  13  40.026  80.051  1.1977       128.2      1.6      1.5     6.0
   49   4   0   1  40.411  80.823  1.1882       162.9      2.1      1.9     6.1
   50   2   2   9  40.662  81.324  1.18215      425.8      5.5      5.1     6.1
   51   3   1   8  40.836  81.673  1.17798      104.9      1.3      1.3     6.1
   52   3   0  12  41.086  82.172  1.17208      204.5      2.6      2.4     6.1
   53   4   0   4  41.594  83.189  1.16031      153.3      2.0      1.8     6.1
   54   2   1  14  42.154  84.309  1.14773      199.5      2.6      2.4     6.1
   55   4   0   5  42.301  84.603  1.1445       369.3      4.7      4.4     6.1
   56   2   0  16  42.341  84.682  1.14363       90.5      1.2      1.1     6.1
   57   3   1  10  43.662  87.324  1.1157       646.6      8.3      7.6     6.2
   58   2   0  17  44.922  89.844  1.09083      210.1      2.7      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)