Institute of Experimental Mineralogy
Russian Academy of Sciences
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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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GALLOBEUDANTITE
1, td-alunite, g-beudantite, DF
PbGa(3)[AsO(4)SO(4)](OH)(6)
Hexagonal R 3m Z = 3
R =0.078 NR =1290
21 .6 .1997
Ref.Str.:
Jambor J.L., Owens D.R., Grice J.D., Feinglos M.N. (1996)
* Canad. Mineral., 34, 1305-1315
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.225 alpha = 90.0
b = 7.225 beta = 90.0
c = 17.03 gamma = 120.0
Unit cell volume (cub. angs.) = 769.88
Molar volume ( cub.cm/mol.) = 154.58
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.02 0.986 0.0 0.04 Pb = 0.16, Pb = 0.0
2 0.9978 0.4989 0.4991 0.02 Ga = 1.00
3 0.0 0.0 0.6825 0.01 As = 1.00
4 0.0 0.0 0.3011 0.02 S = 1.00
5 0.0 0.0 0.579 0.02 O = 1.00
6 0.0 0.0 0.394 0.02 O = 1.00
7 0.752 0.876 0.7196 0.02 O = 1.00
8 0.216 0.784 0.9418 0.03 O = 1.00
9 0.455 0.91 0.803 0.03 OH = 1.00
10 0.873 0.746 0.866 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.02 0.986 0.0
2 2 0.9978 0.4989 0.4991
3 3 0.0 0.0 0.6825
4 4 0.0 0.0 0.3011
5 5 0.0 0.0 0.579
6 6 0.0 0.0 0.394
7 7 0.752 0.876 0.7196
8 8 0.216 0.784 0.9418
9 9 0.455 0.91 0.803
10 10 0.873 0.746 0.866
11 1 0.014 0.034 0.0
12 1 0.966 0.98 0.0
13 2 0.5011 0.4989 0.4991
14 2 0.5011 0.0022 0.4991
15 7 0.124 0.876 0.7196
16 7 0.124 0.248 0.7196
17 8 0.216 0.432 0.9418
18 8 0.568 0.784 0.9418
19 9 0.09 0.545 0.803
20 9 0.455 0.545 0.803
21 10 0.254 0.127 0.866
22 10 0.873 0.127 0.866
23 1 0.6807 0.3673 0.3333
24 1 0.2993 0.6467 0.6667
25 2 0.1678 0.8322 0.8324
26 2 0.8344 0.6689 0.1658
27 3 0.6667 0.3333 0.0158
28 3 0.3333 0.6667 0.3492
29 4 0.6667 0.3333 0.6344
30 4 0.3333 0.6667 0.9678
31 5 0.6667 0.3333 0.9123
32 5 0.3333 0.6667 0.2457
33 6 0.6667 0.3333 0.7273
34 6 0.3333 0.6667 0.0607
35 7 0.7907 0.2093 0.0529
36 7 0.4573 0.9147 0.3863
37 8 0.8827 0.7653 0.2751
38 8 0.9013 0.4507 0.6085
39 9 0.7567 0.8783 0.1363
40 9 0.7883 0.2117 0.4697
41 10 0.9207 0.4603 0.1993
42 10 0.2063 0.7937 0.5327
43 1 0.6327 0.3133 0.3333
44 1 0.3533 0.6527 0.6667
45 1 0.6867 0.3193 0.3333
46 1 0.3473 0.7006 0.6667
47 2 0.1678 0.3355 0.8324
48 2 0.3311 0.1656 0.1658
49 2 0.6645 0.8322 0.8324
50 2 0.8344 0.1655 0.1658
51 7 0.7907 0.5813 0.0529
52 7 0.0853 0.5427 0.3863
53 7 0.4187 0.2093 0.0529
54 7 0.4573 0.5426 0.3863
55 8 0.2347 0.1173 0.2751
56 8 0.5493 0.4507 0.6085
57 8 0.8827 0.1173 0.2751
58 8 0.5493 0.0986 0.6085
59 9 0.1217 0.8783 0.1363
60 9 0.7883 0.5767 0.4697
61 9 0.1217 0.2433 0.1363
62 9 0.4233 0.2116 0.4697
63 10 0.5397 0.4603 0.1993
64 10 0.2063 0.4127 0.5327
65 10 0.5397 0.0793 0.1993
66 10 0.5873 0.7937 0.5327
67 1 0.02 0.034 0.0
68 1 0.014 0.98 0.0
69 1 0.966 0.986 0.0
70 1 0.6807 0.3133 0.3333
71 1 0.2993 0.6527 0.6667
72 1 0.6327 0.3193 0.3333
73 1 0.3533 0.7007 0.6667
74 1 0.6867 0.3673 0.3333
75 1 0.3473 0.6467 0.6667
X-ray density (g/cm cub.) = 4.82
MU (1/cm) = 546.474 Mass attenuation coefficient (cm**2/g) = 113.384
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,Pb 3.192 12
2.6804 8
2.7387 10
2.9678 8
3.0018 8
2.7169 10
2.9078 10
2.9724 7
2.8523 9
2.6947 7
2.658 7
2.6658 9
2.8321 9
2 Ga 2.424 6
1.9578 8
1.9256 9
1.9807 10
1.9982 7
1.9256 9
1.9807 10
3 As 2.508 4
1.7626 5
1.6754 7
1.6755 7
1.6754 7
4 S 2.028 4
1.5821 6
1.5335 8
1.5335 8
1.5336 8
5 O 3.312 10
3.1506 6
2.8533 7
2.8533 7
2.8533 7
3.2378 9
2.7 10
3.2379 9
3.2377 9
2.6999 10
2.7001 10
6 O 3.312 7
3.1506 5
2.5008 8
2.9456 9
2.5008 8
2.5008 8
2.9456 9
2.9455 9
7 O 3.312 9
2.8533 5
2.685 9
2.9468 10
2.6877 7
2.6877 7
2.685 9
2.9468 10
3.2666 8
3.2665 8
8 O 3.312 9
2.7975 9
2.6838 10
2.5433 8
2.5433 8
2.7975 9
2.6837 10
2.5007 6
3.2664 7
3.2665 7
9 OH 3.36 10
2.685 7
2.7975 8
2.685 7
2.7975 8
2.6372 9
2.6372 9
2.8275 10
2.8276 10
3.2377 5
2.9456 6
10 OH 3.36 10
2.9468 7
2.6838 8
2.9468 7
2.6837 8
2.8276 9
2.8275 9
2.7527 10
2.7527 10
2.6999 5
3.346 7
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 8.76 17.52 0.085 83.29 6 258.0 5612.2
2 0 0 3 9.066 18.132 0.088 77.62 2 52.1 71.0
3 1 0 -2 10.218 20.436 0.099 60.64 6 49.2 148.7
4 1 1 0 14.336 28.671 0.138 29.8 6 263.6 2095.1
5 1 0 4 14.721 29.442 0.142 28.15 6 117.1 390.9
6 2 0 -1 16.899 33.799 0.162 20.91 6 149.4 472.7
7 1 1 3 17.067 34.134 0.164 20.47 12 402.0 6696.9
8 1 0 -5 17.398 34.795 0.167 19.63 6 123.9 305.1
9 2 0 2 17.734 35.467 0.17 18.82 6 303.3 1753.1
10 0 0 6 18.369 36.738 0.176 17.42 2 474.7 1324.8
11 2 0 -4 20.781 41.562 0.198 13.25 6 347.3 1618.5
12 2 1 1 22.448 44.896 0.213 11.14 12 185.6 777.1
13 2 0 5 22.843 45.686 0.217 10.71 6 42.2 19.3
14 2 1 -2 23.112 46.225 0.219 10.43 12 142.2 426.9
15 1 0 7 23.233 46.466 0.221 10.31 6 412.3 1774.0
16 1 1 6 23.626 47.253 0.224 9.93 12 165.0 547.3
17 3 0 0 25.395 50.79 0.24 8.42 6 149.6 190.9
18 2 1 4 25.636 51.272 0.242 8.24 12 130.5 284.3
19 1 0 -8 26.349 52.697 0.248 7.75 6 74.7 43.7
20 3 0 -3 27.187 54.373 0.255 7.21 6 447.6 1462.9
21 3 0 3 27.187 54.373 0.255 7.21 6 248.8 451.9
22 2 1 -5 27.416 54.832 0.257 7.08 12 151.6 329.3
23 2 0 -7 27.758 55.516 0.26 6.88 6 64.7 29.1
24 0 0 9 28.21 56.42 0.264 6.63 2 82.4 15.2
25 2 2 0 29.683 59.366 0.277 5.91 6 526.0 1655.7
26 2 0 8 30.546 61.091 0.284 5.55 6 275.6 426.3
27 3 1 -1 31.204 62.409 0.29 5.29 12 156.6 262.5
28 2 2 3 31.31 62.62 0.29 5.25 12 42.1 18.8
29 3 1 2 31.737 63.474 0.294 5.1 12 40.1 16.6
30 2 1 7 31.834 63.669 0.295 5.06 12 233.9 560.7
31 3 0 -6 32.154 64.308 0.297 4.95 6 144.8 105.2
32 3 0 6 32.154 64.308 0.297 4.95 6 151.0 114.4
33 1 1 9 32.251 64.501 0.298 4.92 12 270.0 726.4
34 1 0 10 32.979 65.958 0.304 4.69 6 168.1 134.1
35 3 1 -4 33.821 67.641 0.311 4.45 12 53.9 26.1
36 2 1 -8 34.425 68.851 0.316 4.29 12 45.8 18.2
37 4 0 1 35.045 70.09 0.321 4.13 6 104.4 45.6
38 3 1 5 35.343 70.686 0.323 4.06 12 190.7 299.4
39 4 0 -2 35.548 71.095 0.325 4.02 6 301.3 369.3
40 2 2 6 35.942 71.885 0.328 3.93 12 379.3 1145.3
41 1 0 -11 36.525 73.05 0.333 3.81 6 140.9 76.6
42 2 0 -10 36.727 73.454 0.334 3.77 6 504.3 971.2
43 4 0 4 37.531 75.061 0.341 3.62 6 318.4 371.9
44 3 2 1 38.706 77.412 0.35 3.43 12 168.8 198.0
45 4 0 -5 38.994 77.987 0.352 3.39 6 85.7 25.2
46 0 0 12 39.07 78.14 0.352 3.38 2 281.7 90.5
47 3 2 -2 39.191 78.382 0.353 3.36 12 46.9 15.0
48 3 1 -7 39.28 78.561 0.354 3.35 12 245.7 409.6
49 3 0 -9 39.662 79.323 0.357 3.3 6 305.1 310.7
50 3 0 9 39.662 79.323 0.357 3.3 6 210.5 147.9
51 2 0 11 40.137 80.274 0.36 3.24 6 103.4 35.0
52 2 1 10 40.333 80.667 0.362 3.21 12 129.3 108.8
53 4 1 0 40.927 81.853 0.366 3.15 12 175.9 197.0
54 3 2 4 41.116 82.231 0.368 3.13 12 64.3 26.1
55 3 1 8 41.682 83.363 0.372 3.07 12 32.5 6.6
56 4 1 -3 42.359 84.718 0.377 3.01 12 241.1 353.8
57 4 1 3 42.359 84.718 0.377 3.01 12 285.3 495.6
58 3 2 -5 42.547 85.094 0.378 2.99 12 71.8 31.2
59 1 1 12 42.622 85.245 0.379 2.98 12 123.9 92.7
60 4 0 7 42.829 85.657 0.38 2.97 6 54.9 9.1
61 2 2 9 43.204 86.408 0.383 2.94 12 39.8 9.4
62 2 1 -11 43.673 87.345 0.386 2.91 12 122.8 88.7
63 1 0 13 44.235 88.469 0.39 2.87 6 260.1 196.6
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 8.76 17.52 5.87316 5612.2 83.8 84.9 5.6
2 0 0 3 9.066 18.132 5.67667 71.0 1.1 1.1 5.6
3 1 0 2 10.218 20.436 5.04211 148.7 2.2 2.2 5.6
4 1 1 0 14.336 28.671 3.6125 2095.1 31.3 31.4 5.6
5 1 0 4 14.721 29.442 3.51993 390.9 5.8 5.9 5.6
6 2 0 1 16.899 33.799 3.07703 472.7 7.1 7.1 5.7
7 1 1 3 17.067 34.134 3.04771 6696.9 100.0 100.0 5.7
8 1 0 5 17.398 34.795 2.9915 305.1 4.6 4.6 5.7
9 2 0 2 17.734 35.467 2.93658 1753.1 26.2 26.1 5.7
10 0 0 6 18.369 36.738 2.83833 1324.8 19.8 19.7 5.7
11 2 0 4 20.781 41.562 2.52106 1618.5 24.2 24.0 5.7
12 2 1 1 22.448 44.896 2.34246 777.1 11.6 11.5 5.7
13 2 1 2 23.112 46.225 2.27868 426.9 6.4 6.3 5.7
14 1 0 7 23.233 46.466 2.26749 1774.0 26.5 26.2 5.7
15 1 1 6 23.626 47.253 2.23185 547.3 8.2 8.1 5.7
16 3 0 0 25.395 50.79 2.08568 190.9 2.8 2.8 5.8
17 2 1 4 25.636 51.272 2.0674 284.3 4.2 4.2 5.8
18 3 0 3 27.187 54.373 1.95772 1914.8 28.6 28.0 5.8
19 2 1 5 27.416 54.832 1.94258 329.3 4.9 4.8 5.8
20 2 2 0 29.683 59.366 1.80625 1655.7 24.7 24.0 5.8
21 2 0 8 30.546 61.091 1.75996 426.3 6.4 6.2 5.8
22 3 1 1 31.204 62.409 1.72645 262.5 3.9 3.8 5.8
23 2 1 7 31.834 63.669 1.69577 560.7 8.4 8.1 5.9
24 3 0 6 32.154 64.308 1.6807 219.6 3.3 3.2 5.9
25 1 1 9 32.251 64.501 1.6762 726.4 10.8 10.5 5.9
26 1 0 10 32.979 65.958 1.64322 134.1 2.0 1.9 5.9
27 3 1 5 35.343 70.686 1.54625 299.4 4.5 4.3 5.9
28 4 0 2 35.548 71.095 1.53851 369.3 5.5 5.3 5.9
29 2 2 6 35.942 71.885 1.52385 1145.3 17.1 16.3 5.9
30 1 0 11 36.525 73.05 1.50286 76.6 1.1 1.1 6.0
31 2 0 10 36.727 73.454 1.49575 971.2 14.5 13.8 6.0
32 4 0 4 37.531 75.061 1.46829 371.9 5.6 5.3 6.0
33 3 2 1 38.706 77.412 1.43039 198.0 3.0 2.8 6.0
34 0 0 12 39.07 78.14 1.41917 90.5 1.4 1.3 6.0
35 3 1 7 39.28 78.561 1.41279 409.6 6.1 5.7 6.0
36 3 0 9 39.662 79.323 1.40142 458.6 6.8 6.4 6.0
37 2 1 10 40.333 80.667 1.38197 108.8 1.6 1.5 6.1
38 4 1 0 40.927 81.853 1.3654 197.0 2.9 2.7 6.1
39 4 1 3 42.359 84.718 1.32754 849.3 12.7 11.7 6.1
40 1 1 12 42.622 85.245 1.3209 92.7 1.4 1.3 6.1
41 2 1 11 43.673 87.345 1.29531 88.7 1.3 1.2 6.2
42 1 0 13 44.235 88.469 1.2822 196.6 2.9 2.7 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)
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