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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HIDALGOITE

1, t-alunite, g-beudantite

PbAl(3)[AsO(4)][SO(4)](OH)(6)


Hexagonal  R 3(-)m  Z = 4

R3(-)m

22 .2 .1995

Ref.Str.:

         Szymanski Jan T. (1988)

         * Canad. Mineral., 26, 923-932

Ref.Composition & Lattice:

         Povarennyh A.S. (1966)

         * Kristallohim. klassif. miner. vidov (in russian), 398

Reserv:

         The coordinates of atoms are from beudantite.   N.A.D.

                   Initial data from BDM-file 

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

             a =   7.04     alpha =   90.0 
             b =   7.04     beta  =   90.0 
             c =  16.99     gamma =  120.0 

    Unit cell volume (cub. angs.) =   729.24

    Molar volume ( cub.cm/mol.) =   109.81

  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 0.0     0.0     0.3149   0.0    As    = 0.5 , S     = 0.5 
   3 0.0     0.5     0.5      0.0    Al    = 1.00
   4 0.0     0.0     0.4068   0.0    O     = 1.00
   5 0.2145  0.429   0.9468   0.0    O     = 1.00
   6 0.1254  0.2508  0.1343   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     0.0        0.0        0.3149
     3       3     0.0        0.5        0.5   
     4       4     0.0        0.0        0.4068
     5       5     0.2145     0.429      0.9468
     6       6     0.1254     0.2508     0.1343
     7       3     0.5        0.5        0.5   
     8       3     0.5        0.0        0.5   
     9       5     0.571      0.7855     0.9468
    10       5     0.2145     0.7855     0.9468
    11       6     0.7492     0.8746     0.1343
    12       6     0.1254     0.8746     0.1343
    13       1     0.6667     0.3333     0.3333
    14       1     0.3333     0.6667     0.6667
    15       2     0.6667     0.3333     0.6482
    16       2     0.3333     0.6667     0.9816
    17       3     0.1667     0.8333     0.8333
    18       3     0.8333     0.6667     0.1667
    19       4     0.6667     0.3333     0.7401
    20       4     0.3333     0.6667     0.0735
    21       5     0.2377     0.1188     0.2801
    22       5     0.5478     0.4522     0.6135
    23       6     0.4159     0.2079     0.4676
    24       6     0.4587     0.5413     0.801 
    25       3     0.1667     0.3333     0.8333
    26       3     0.3333     0.1667     0.1667
    27       3     0.6667     0.8333     0.8333
    28       3     0.8333     0.1666     0.1667
    29       5     0.8812     0.1188     0.2801
    30       5     0.5478     0.0957     0.6135
    31       5     0.8812     0.7623     0.2801
    32       5     0.9043     0.4522     0.6135
    33       6     0.7921     0.2079     0.4676
    34       6     0.4587     0.9175     0.801 
    35       6     0.7921     0.5841     0.4676
    36       6     0.0825     0.5412     0.801 
    37       2     0.0        0.0        0.6851
    38       4     0.0        0.0        0.5932
    39       5     0.7855     0.571      0.0532
    40       6     0.8746     0.7492     0.8657
    41       5     0.429      0.2145     0.0532
    42       5     0.7855     0.2145     0.0532
    43       6     0.2508     0.1254     0.8657
    44       6     0.8746     0.1254     0.8657
    45       2     0.3333     0.6667     0.3518
    46       2     0.6667     0.3333     0.0184
    47       4     0.3333     0.6667     0.2599
    48       4     0.6667     0.3333     0.9265
    49       5     0.7623     0.8812     0.7199
    50       5     0.4522     0.5478     0.3865
    51       6     0.5841     0.7921     0.5324
    52       6     0.5413     0.4587     0.199 
    53       5     0.1188     0.8812     0.7199
    54       5     0.4522     0.9043     0.3865
    55       5     0.1188     0.2377     0.7199
    56       5     0.0957     0.5478     0.3865
    57       6     0.2079     0.7921     0.5324
    58       6     0.5413     0.0825     0.199 
    59       6     0.2079     0.4159     0.5324
    60       6     0.9175     0.4588     0.199 


X-ray density (g/cm cub.)   =      4.23

MU (1/cm) =     434.909    Mass attenuation coefficient (cm**2/g) =    102.865

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

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

    1    Pb                  3.144       12
                                                 2.7673       5
                                                 2.7467       6
                                                 2.7673       5
                                                 2.7674       5
                                                 2.7467       6
                                                 2.7468       6
                                                 2.7673       5
                                                 2.7467       6
                                                 2.7673       5
                                                 2.7674       5
                                                 2.7467       6
                                                 2.7468       6
    2   As   ,S              2.46         4
                                                 1.5614       4
                                                 1.5648       5
                                                 1.5648       5
                                                 1.5648       5
    3    Al                  2.316        6
                                                 2.014        5
                                                 1.9139       6
                                                 1.914        6
                                                 2.014        5
                                                 1.9139       6
                                                 1.914        6
    4    O                   3.264        7
                                                 2.5944       5
                                                 2.738        6
                                                 2.5945       5
                                                 2.5944       5
                                                 2.738        6
                                                 2.738        6
                                                 3.1669       4
    5    O                   3.264        9
                                                 2.5097       5
                                                 2.5097       5
                                                 2.5943       4
                                                 2.8916       6
                                                 2.8916       6
                                                 3.1794       5
                                                 3.1795       5
                                                 2.6605       6
                                                 2.6605       6
    6    O                   3.264        9
                                                 2.6485       6
                                                 2.6485       6
                                                 2.738        4
                                                 2.8915       5
                                                 2.8915       5
                                                 2.6605       5
                                                 2.6606       5
                                                 2.7638       6
                                                 2.7638       6

  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   1  7.714  15.428   0.087  108.05    6      196.8     4720.7
    2   0   0   3  7.817  15.634   0.088  105.16    2      212.5     1786.0
    3   1   0  -2  8.946  17.893   0.101   79.77    6       64.9      379.4
    4   1   1   0 12.64   25.281   0.142   38.9     6      313.2     4304.6
    5   1   0   4 12.769  25.538   0.143   38.08    6      146.0      915.4
    6   2   0  -1 14.875  29.751   0.167   27.53    6        4.7        0.7
    7   1   1   3 14.931  29.862   0.167   27.31   12      357.1     7858.8
    8   1   0  -5 15.041  30.083   0.168   26.89    6       71.0      152.9
    9   2   0   2 15.573  31.145   0.174   24.96    6      158.6      707.8
   10   0   0   6 15.785  31.569   0.177   24.24    2      333.6     1014.4
   11   2   0  -4 18.121  36.242   0.202   17.95    6      201.9      825.8
   12   2   1   1 19.714  39.428   0.219   14.9    12      143.2      689.8
   13   2   0   5 19.844  39.688   0.22    14.69    6      172.0      490.4
   14   1   0   7 19.973  39.947   0.222   14.48    6      356.0     2069.8
   15   2   1  -2 20.264  40.528   0.225   14.02   12      197.2     1230.4
   16   1   1   6 20.433  40.867   0.227   13.76   12      210.8     1380.4
   17   3   0   0 22.273  44.546   0.246   11.34    6      203.1      528.1
   18   2   1   4 22.352  44.704   0.247   11.25   12      173.2      761.8
   19   1   0  -8 22.586  45.172   0.249   10.99    6       89.3       98.9
   20   3   0  -3 23.746  47.493   0.261    9.81    6      412.9     1887.7
   21   3   0   3 23.746  47.493   0.261    9.81    6      215.0      511.9
   22   2   1  -5 23.821  47.642   0.262    9.74   12      124.2      339.2
   23   2   0  -7 23.933  47.866   0.263    9.64    6       89.6       87.4
   24   0   0   9 24.081  48.163   0.265    9.51    2       76.1       20.7
   25   2   2   0 25.955  51.909   0.284    8.02    6      411.9     1534.2
   26   2   0   8 26.234  52.468   0.287    7.82    6      152.3      204.7
   27   3   1  -1 27.244  54.488   0.297    7.18   12      125.5      255.0
   28   2   2   3 27.278  54.556   0.297    7.16   12      177.4      508.3
   29   2   1   7 27.447  54.894   0.299    7.06   12      191.7      585.1
   30   1   1   9 27.582  55.163   0.301    6.98   12      232.2      849.6
   31   3   1   2 27.676  55.351   0.301    6.93   12       62.1       60.3
   32   3   0  -6 27.81   55.619   0.303    6.85    6      199.2      306.8
   33   3   0   6 27.81   55.619   0.303    6.85    6      196.9      299.6
   34   1   0  10 28.076  56.153   0.306    6.7     6      199.0      299.6
   35   3   1  -4 29.36   58.721   0.318    6.06   12       90.3      111.6
   36   2   1  -8 29.554  59.107   0.32     5.97   12       12.8        2.2
   37   4   0   1 30.49   60.981   0.329    5.57    6       44.2       12.2
   38   3   1   5 30.585  61.17    0.33     5.53   12      171.4      366.6
   39   4   0  -2 30.893  61.786   0.333    5.41    6      209.1      266.7
   40   1   0 -11 30.962  61.923   0.334    5.38    6       74.6       33.8
   41   2   2   6 31.018  62.036   0.334    5.36   12      283.1      969.5
   42   2   0 -10 31.267  62.535   0.337    5.27    6      386.9      889.3
   43   4   0   4 32.474  64.948   0.349    4.85    6      222.1      269.9
   44   0   0  12 32.96   65.919   0.353    4.7     2      169.2       50.6
   45   3   2   1 33.544  67.087   0.359    4.53   12      156.9      251.2
   46   4   0  -5 33.633  67.267   0.36     4.5     6       55.5       15.7
   47   3   1  -7 33.723  67.446   0.36     4.47   12      210.7      448.5
   48   3   0  -9 33.843  67.685   0.362    4.44    6      289.4      419.7
   49   3   0   9 33.843  67.685   0.362    4.44    6      180.2      162.8
   50   3   2  -2 33.926  67.852   0.362    4.42   12       38.6       14.9
   51   2   0  11 33.992  67.983   0.363    4.4     6        6.1        0.2
   52   2   1  10 34.283  68.566   0.366    4.32   12      157.3      241.4
   53   4   1   0 35.378  70.756   0.376    4.06   12      237.6      516.8
   54   3   2   4 35.436  70.873   0.376    4.04   12      100.8       92.7
   55   3   1   8 35.612  71.223   0.378    4.0    12       66.6       40.0
   56   1   1  12 35.902  71.805   0.381    3.94   12      171.0      260.0
   57   4   1  -3 36.493  72.987   0.386    3.82   12      235.1      476.4
   58   4   1   3 36.493  72.987   0.386    3.82   12      277.2      661.8
   59   3   2  -5 36.551  73.102   0.387    3.81   12       62.7       33.7
   60   4   0   7 36.638  73.275   0.387    3.79    6       83.3       29.6
   61   2   2   9 36.753  73.505   0.388    3.77   12      114.8      112.1
   62   2   1 -11 36.897  73.793   0.39     3.74   12       66.6       37.5
   63   1   0  13 37.069  74.138   0.391    3.71    6      220.4      203.2
   64   4   0  -8 38.466  76.932   0.404    3.47    6      103.0       41.5
   65   5   0  -1 39.296  78.593   0.411    3.35    6      113.2       48.4
   66   3   2   7 39.465  78.93    0.413    3.32   12      278.0      579.9
   67   5   0   2 39.656  79.313   0.414    3.3     6      159.5       94.7
   68   4   1  -6 39.769  79.537   0.415    3.28   12      178.0      234.8
   69   4   1   6 39.769  79.537   0.415    3.28   12      163.7      198.7
   70   2   0 -13 39.886  79.773   0.416    3.27    6      147.0       79.7
   71   3   1 -10 39.993  79.986   0.417    3.26   12      223.8      368.0
   72   1   0 -14 40.329  80.658   0.42     3.21    6       93.8       31.9
   73   3   3   0 41.033  82.065   0.426    3.13    6      309.1      337.8
   74   5   0  -4 41.088  82.177   0.427    3.13    6      149.9       79.3
   75   3   2  -8 41.255  82.511   0.428    3.11   12       84.3       49.9
   76   3   0 -12 41.534  83.067   0.43     3.08    6      126.2       55.4
   77   3   0  12 41.534  83.067   0.43     3.08    6      244.3      207.5
   78   4   2  -1 42.073  84.145   0.435    3.03   12       50.3       17.3
   79   3   3   3 42.1    84.201   0.435    3.03   12      231.6      366.6
   80   5   0   5 42.156  84.311   0.436    3.02    6       84.1       24.1
   81   4   2   2 42.427  84.855   0.438    3.0    12      133.8      121.3
   82   3   1  11 42.488  84.977   0.438    3.0    12       76.2       39.2
   83   2   1  13 42.654  85.309   0.44     2.98   12      239.3      385.4
   84   4   0  10 42.76   85.52    0.441    2.97    6      256.6      220.8
   85   0   0  15 42.848  85.696   0.441    2.97    2      148.0       24.4
   86   2   0  14 43.092  86.184   0.443    2.95    6      115.7       44.5
   87   4   2  -4 43.844  87.688   0.45     2.89   12      187.2      228.9
   88   2   2  12 44.286  88.571   0.453    2.87   12      205.3      272.6
   89   5   1   1 44.821  89.643   0.458    2.84   12       98.9       62.6
   90   4   2   5 44.904  89.808   0.458    2.83   12        4.2        0.1
   91   5   0  -7 44.987  89.974   0.459    2.83    6      154.6       76.2


  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   0   1   7.714  15.428  5.73852     4720.7     60.1     60.7     5.6
    2   0   0   3   7.817  15.634  5.66333     1786.0     22.7     23.0     5.6
    3   1   0   2   8.946  17.893  4.95319      379.4      4.8      4.9     5.6
    4   1   1   0  12.64   25.281  3.52        4304.6     54.8     55.0     5.6
    5   1   0   4  12.769  25.538  3.48512      915.4     11.6     11.7     5.6
    6   1   1   3  14.931  29.862  2.98959     7858.8    100.0    100.0     5.6
    7   1   0   5  15.041  30.083  2.96814      152.9      1.9      1.9     5.6
    8   2   0   2  15.573  31.145  2.86926      707.8      9.0      9.0     5.6
    9   0   0   6  15.785  31.569  2.83167     1014.4     12.9     12.9     5.6
   10   2   0   4  18.121  36.242  2.47659      825.8     10.5     10.4     5.7
   11   2   1   1  19.714  39.428  2.28347      689.8      8.8      8.7     5.7
   12   2   0   5  19.844  39.688  2.26911      490.4      6.2      6.2     5.7
   13   1   0   7  19.973  39.947  2.25502     2069.8     26.3     26.1     5.7
   14   2   1   2  20.264  40.528  2.22401     1230.4     15.7     15.5     5.7
   15   1   1   6  20.433  40.867  2.20636     1380.4     17.6     17.4     5.7
   16   3   0   0  22.273  44.546  2.03227      528.1      6.7      6.6     5.7
   17   2   1   4  22.352  44.704  2.02549      761.8      9.7      9.6     5.7
   18   1   0   8  22.586  45.172  2.00556       98.9      1.3      1.2     5.7
   19   3   0   3  23.746  47.493  1.91284     2399.6     30.5     30.0     5.7
   20   2   1   5  23.821  47.642  1.90719      339.2      4.3      4.2     5.7
   21   2   0   7  23.933  47.866  1.8988        87.4      1.1      1.1     5.7
   22   2   2   0  25.955  51.909  1.76        1534.2     19.5     19.1     5.8
   23   2   0   8  26.234  52.468  1.74256      204.7      2.6      2.5     5.8
   24   3   1   1  27.244  54.488  1.68264      255.0      3.2      3.2     5.8
   25   2   2   3  27.278  54.556  1.68071      508.3      6.5      6.3     5.8
   26   2   1   7  27.447  54.894  1.67116      585.1      7.4      7.3     5.8
   27   1   1   9  27.582  55.163  1.66363      849.6     10.8     10.5     5.8
   28   3   0   6  27.81   55.619  1.65106      606.4      7.7      7.5     5.8
   29   1   0  10  28.076  56.153  1.63664      299.6      3.8      3.7     5.8
   30   3   1   4  29.36   58.721  1.57103      111.6      1.4      1.4     5.8
   31   3   1   5  30.585  61.17   1.51387      366.6      4.7      4.5     5.8
   32   4   0   2  30.893  61.786  1.50025      266.7      3.4      3.3     5.8
   33   2   2   6  31.018  62.036  1.4948       969.5     12.3     11.9     5.8
   34   2   0  10  31.267  62.535  1.48407      889.3     11.3     10.9     5.8
   35   4   0   4  32.474  64.948  1.43463      269.9      3.4      3.3     5.9
   36   3   2   1  33.544  67.087  1.39399      251.2      3.2      3.1     5.9
   37   3   1   7  33.723  67.446  1.38744      448.5      5.7      5.5     5.9
   38   3   0   9  33.843  67.685  1.38312      582.5      7.4      7.1     5.9
   39   2   1  10  34.283  68.566  1.3675       241.4      3.1      2.9     5.9
   40   4   1   0  35.378  70.756  1.33044      516.8      6.6      6.2     5.9
   41   3   2   4  35.436  70.873  1.32853       92.7      1.2      1.1     5.9
   42   1   1  12  35.902  71.805  1.31356      260.0      3.3      3.1     5.9
   43   4   1   3  36.493  72.987  1.29518     1138.2     14.5     13.7     6.0
   44   2   2   9  36.753  73.505  1.28731      112.1      1.4      1.3     6.0
   45   1   0  13  37.069  74.138  1.27789      203.2      2.6      2.4     6.0
   46   3   2   7  39.465  78.93   1.21188      579.9      7.4      6.9     6.0
   47   5   0   2  39.656  79.313  1.20699       94.7      1.2      1.1     6.0
   48   4   1   6  39.769  79.537  1.20415      433.5      5.5      5.1     6.0
   49   2   0  13  39.886  79.773  1.20119       79.7      1.0      0.9     6.0
   50   3   1  10  39.993  79.986  1.19852      368.0      4.7      4.4     6.0
   51   3   3   0  41.033  82.065  1.17333      337.8      4.3      4.0     6.1
   52   5   0   4  41.088  82.177  1.17202       79.3      1.0      0.9     6.1
   53   3   0  12  41.534  83.067  1.16171      262.9      3.3      3.1     6.1
   54   3   3   3  42.1    84.201  1.14893      383.9      4.9      4.5     6.1
   55   4   2   2  42.427  84.855  1.14174      121.3      1.5      1.4     6.1
   56   2   1  13  42.654  85.309  1.13682      385.4      4.9      4.5     6.1
   57   4   0  10  42.76   85.52   1.13456      220.8      2.8      2.6     6.1
   58   4   2   4  43.844  87.688  1.112        228.9      2.9      2.7     6.2
   59   2   2  12  44.286  88.571  1.10318      272.6      3.5      3.2     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)