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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DIASPORE
1, t-diaspore, f-diaspore, g-diaspore
AlOOH
Orthorhombic P bnm Z = 4
R =0.035 NR =791
24 .4 .1989
Ref.Str.:
W.R.Busing, H.A.Levy (1958)
* Acta Cryst., 11, 798-803
Ref.Composition & Lattice:
R.J.Hill (1979)
* Phys. Chem. Minerals, 5, 179-200
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.4007 alpha = 90.0
b = 9.4253 beta = 90.0
c = 2.8452 gamma = 90.0
Unit cell volume (cub. angs.) = 118.01
Molar volume ( cub.cm/mol.) = 17.77
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0451 0.8554 0.25 0.0 Al = 1.00
2 0.712 0.1989 0.25 0.0 O = 1.00
3 0.197 0.0532 0.25 0.0 O = 1.00
4 0.4095 0.0876 0.25 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0451 0.8554 0.25
2 2 0.712 0.1989 0.25
3 3 0.197 0.0532 0.25
4 4 0.4095 0.0876 0.25
5 1 0.9549 0.1446 0.75
6 2 0.288 0.8011 0.75
7 3 0.803 0.9468 0.75
8 4 0.5905 0.9124 0.75
9 1 0.4549 0.3554 0.25
10 2 0.788 0.6989 0.25
11 3 0.303 0.5532 0.25
12 4 0.0905 0.5876 0.25
13 1 0.5451 0.6446 0.75
14 2 0.212 0.3011 0.75
15 3 0.697 0.4468 0.75
16 4 0.9095 0.4124 0.75
X-ray density (g/cm cub.) = 3.38
MU (1/cm) = 94.508 Mass attenuation coefficient (cm**2/g) = 28.001
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Al 2.316 6
1.9805 3
1.8516 2
1.8516 2
1.9751 3
1.9751 3
1.859 2
2 O 3.264 12
2.8452 2
2.8452 2
2.538 3
2.65 3
2.7982 3
2.7982 3
2.7916 2
2.7916 2
2.7916 2
2.7916 2
2.7363 3
2.7363 3
3 O 3.264 12
2.65 2
2.538 2
2.8452 3
2.8452 3
2.7982 2
2.7982 2
3.1846 3
3.1846 3
2.4568 3
2.4568 3
2.7363 2
2.7363 2
4 H 1.632 1
0.9898 3
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 2 0 9.407 18.814 0.106 71.94 2 10.0 102.4
2 1 1 0 11.138 22.276 0.125 50.7 4 29.8 1290.2
3 1 2 0 13.856 27.712 0.155 32.03 4 9.6 84.4
4 1 3 0 17.532 35.065 0.196 19.3 4 24.5 333.4
5 0 2 1 18.436 36.872 0.205 17.29 4 6.9 23.5
6 1 0 1 18.807 37.614 0.209 16.54 4 10.9 56.6
7 0 4 0 19.081 38.161 0.212 16.02 2 22.4 115.8
8 1 1 1 19.426 38.851 0.216 15.4 8 31.2 858.5
9 2 0 0 20.492 40.983 0.227 13.68 2 3.8 2.8
10 2 1 0 21.069 42.137 0.233 12.85 4 2.9 3.1
11 1 2 1 21.189 42.379 0.235 12.69 8 29.0 614.9
12 1 4 0 21.766 43.531 0.241 11.95 4 42.5 620.2
13 2 2 0 22.728 45.455 0.251 10.84 4 5.0 7.7
14 1 3 1 23.892 47.785 0.263 9.68 8 6.9 26.8
15 0 4 1 25.116 50.232 0.276 8.64 4 17.3 74.4
16 2 3 0 25.302 50.604 0.277 8.49 4 4.0 3.9
17 1 5 0 26.394 52.787 0.289 7.72 4 8.9 17.4
18 2 1 1 26.745 53.491 0.292 7.49 8 22.1 210.2
19 1 4 1 27.331 54.661 0.298 7.13 8 9.3 35.8
20 2 2 1 28.149 56.298 0.306 6.66 8 42.3 685.4
21 2 4 0 28.618 57.236 0.311 6.42 4 30.9 176.3
22 0 6 0 29.363 58.727 0.318 6.06 2 18.9 31.1
23 2 3 1 30.392 60.785 0.328 5.61 8 15.9 81.0
24 1 5 1 31.365 62.73 0.338 5.23 8 33.6 338.6
25 1 6 0 31.376 62.752 0.338 5.23 4 5.5 4.5
26 3 1 0 32.102 64.204 0.345 4.97 4 4.0 2.3
27 2 5 0 32.553 65.105 0.349 4.82 4 24.1 80.5
28 0 0 2 32.783 65.566 0.351 4.75 2 59.2 239.4
29 3 2 0 33.364 66.728 0.357 4.58 4 19.3 48.8
30 2 4 1 33.38 66.76 0.357 4.57 8 13.4 47.3
31 0 6 1 34.064 68.128 0.364 4.38 4 46.7 275.0
32 0 2 2 34.443 68.887 0.367 4.28 4 7.0 6.0
33 1 1 2 35.092 70.183 0.373 4.12 8 19.7 91.5
34 3 3 0 35.417 70.834 0.376 4.05 4 30.5 108.0
35 1 6 1 35.933 71.865 0.381 3.93 8 4.5 4.6
36 3 0 1 36.213 72.426 0.383 3.87 4 25.1 69.9
37 1 2 2 36.303 72.606 0.384 3.86 8 7.3 11.9
38 3 1 1 36.614 73.227 0.387 3.79 8 10.4 23.4
39 1 7 0 36.745 73.49 0.388 3.77 4 27.2 80.0
40 2 5 1 37.038 74.076 0.391 3.71 8 3.1 2.0
41 2 6 0 37.048 74.097 0.391 3.71 4 16.0 27.4
42 3 2 1 37.806 75.611 0.398 3.58 8 17.5 62.6
43 3 4 0 38.21 76.42 0.402 3.51 4 4.7 2.3
44 1 3 2 38.288 76.576 0.402 3.5 8 19.9 79.5
45 0 4 2 39.234 78.468 0.411 3.36 4 18.5 33.0
46 3 3 1 39.765 79.53 0.415 3.28 8 19.9 74.7
47 2 0 2 40.148 80.297 0.419 3.24 4 3.7 1.3
48 2 1 2 40.536 81.072 0.422 3.19 8 4.4 3.5
49 0 8 0 40.829 81.657 0.424 3.16 2 5.2 1.2
50 1 4 2 41.015 82.031 0.426 3.14 8 24.9 112.0
51 1 7 1 41.045 82.091 0.426 3.13 8 0.6 0.1
52 2 6 1 41.34 82.679 0.429 3.1 8 0.9 0.1
53 2 2 2 41.695 83.39 0.432 3.07 8 4.3 3.2
54 3 5 0 41.71 83.421 0.432 3.07 4 5.3 2.5
55 2 7 0 42.12 84.24 0.435 3.03 4 7.4 4.8
56 3 4 1 42.47 84.939 0.438 3.0 8 16.8 48.4
57 1 8 0 42.596 85.192 0.439 2.99 4 4.1 1.4
58 2 3 2 43.615 87.23 0.448 2.91 8 3.3 1.9
59 4 0 0 44.438 88.877 0.454 2.86 2 19.1 15.0
60 1 5 2 44.472 88.944 0.455 2.86 8 6.6 7.1
61 4 1 0 44.821 89.642 0.458 2.84 4 29.9 72.9
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 2 0 9.407 18.814 4.71265 102.4 7.9 8.0 5.6
2 1 1 0 11.138 22.276 3.98748 1290.2 100.0 100.0 5.6
3 1 2 0 13.856 27.712 3.2164 84.4 6.5 6.5 5.6
4 1 3 0 17.532 35.065 2.557 333.4 25.8 25.6 5.7
5 0 2 1 18.436 36.872 2.43571 23.5 1.8 1.8 5.7
6 1 0 1 18.807 37.614 2.38932 56.6 4.4 4.3 5.7
7 0 4 0 19.081 38.161 2.35632 115.8 9.0 8.9 5.7
8 1 1 1 19.426 38.851 2.31606 858.5 66.5 65.6 5.7
9 1 2 1 21.189 42.379 2.13107 614.9 47.7 46.8 5.7
10 1 4 0 21.766 43.531 2.07729 620.2 48.1 47.2 5.7
11 1 3 1 23.892 47.785 1.90182 26.8 2.1 2.0 5.7
12 0 4 1 25.116 50.232 1.81477 74.4 5.8 5.6 5.8
13 1 5 0 26.394 52.787 1.73278 17.4 1.3 1.3 5.8
14 2 1 1 26.745 53.491 1.71163 210.2 16.3 15.8 5.8
15 1 4 1 27.331 54.661 1.67772 35.8 2.8 2.7 5.8
16 2 2 1 28.149 56.298 1.63277 685.4 53.1 51.3 5.8
17 2 4 0 28.618 57.236 1.6082 176.3 13.7 13.2 5.8
18 0 6 0 29.363 58.727 1.57088 31.1 2.4 2.3 5.8
19 2 3 1 30.392 60.785 1.52253 81.0 6.3 6.0 5.8
20 1 5 1 31.365 62.73 1.47993 343.0 26.6 25.5 5.9
21 2 5 0 32.553 65.105 1.43155 80.5 6.2 6.0 5.9
22 0 0 2 32.783 65.566 1.4226 239.4 18.6 17.7 5.9
23 3 2 0 33.364 66.728 1.40062 96.1 7.4 7.1 5.9
24 0 6 1 34.064 68.128 1.3752 275.0 21.3 20.2 5.9
25 1 1 2 35.092 70.183 1.33988 91.5 7.1 6.7 5.9
26 3 3 0 35.417 70.834 1.32916 108.0 8.4 7.9 5.9
27 3 0 1 36.213 72.426 1.30381 69.9 5.4 5.1 5.9
28 3 1 1 36.614 73.227 1.29152 23.4 1.8 1.7 6.0
29 1 7 0 36.745 73.49 1.28755 80.0 6.2 5.8 6.0
30 2 6 0 37.048 74.097 1.2785 29.4 2.3 2.1 6.0
31 3 2 1 37.806 75.611 1.25661 62.6 4.9 4.5 6.0
32 1 3 2 38.288 76.576 1.24315 79.5 6.2 5.8 6.0
33 0 4 2 39.234 78.468 1.21786 33.0 2.6 2.4 6.0
34 3 3 1 39.765 79.53 1.20423 74.7 5.8 5.4 6.0
35 1 4 2 41.015 82.031 1.17374 112.0 8.7 8.0 6.1
36 3 4 1 42.47 84.939 1.14082 48.4 3.8 3.4 6.1
37 4 0 0 44.438 88.877 1.10018 15.0 1.2 1.1 6.2
38 4 1 0 44.821 89.642 1.09276 72.9 5.7 5.1 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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