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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MONTROSEITE
2, t-diaspore, f-diaspore, g-diaspore
VO(OH)
Orthorhombic P bnm Z = 4
Pbnm
4 .5 .16
Ref.Str.:
Evans H.T., Mrose M.E. (1955)
* Amer. Mineral., 40, 861-875
R: Locality – the Bitter Creek mine, Paradox Valley, Colorado, USA.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.54 alpha = 90.0
b = 9.97 beta = 90.0
c = 3.03 gamma = 90.0
Unit cell volume (cub. angs.) = 137.15
Molar volume ( cub.cm/mol.) = 20.65
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.9483 0.1455 0.25 0.0 V = 1.00
2 0.301 0.803 0.25 0.0 O = 1.00
3 0.802 0.946 0.25 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.9483 0.1455 0.25
2 2 0.301 0.803 0.25
3 3 0.802 0.946 0.25
4 1 0.0517 0.8545 0.75
5 2 0.699 0.197 0.75
6 3 0.198 0.054 0.75
7 1 0.5517 0.6455 0.25
8 2 0.199 0.303 0.25
9 3 0.698 0.446 0.25
10 1 0.4483 0.3545 0.75
11 2 0.801 0.697 0.75
12 3 0.302 0.554 0.75
X-ray density (g/cm cub.) = 4.02
MU (1/cm) = 873.508 Mass attenuation coefficient (cm**2/g) = 217.537
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 V 2.496 6
2.097 3
1.9596 2
1.9596 2
2.1006 3
2.1006 3
1.9394 2
2 O 3.264 12
3.03 2
3.03 2
2.6844 3
2.6767 3
2.9625 3
2.9625 3
2.9266 2
2.9266 2
2.9266 2
2.9266 2
2.9083 3
2.9083 3
3 O 3.264 10
2.6767 2
2.6844 2
3.03 3
3.03 3
2.9625 2
2.9625 2
2.5859 3
2.5859 3
2.9083 2
2.9083 2
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 0 2 0 10.337 20.673 0.1 59.21 2 17.9 200.8
2 1 1 0 12.503 25.005 0.121 39.81 4 44.6 1687.3
3 1 2 0 15.455 30.91 0.149 25.37 4 20.1 216.9
4 1 3 0 19.484 38.969 0.186 15.3 4 45.1 661.6
5 0 2 1 20.21 40.419 0.193 14.1 4 32.2 310.3
6 1 0 1 20.788 41.576 0.198 13.24 4 19.9 111.5
7 0 4 0 21.03 42.06 0.201 12.9 2 44.2 267.8
8 1 1 1 21.474 42.947 0.205 12.32 8 50.8 1353.2
9 2 0 0 23.206 46.412 0.22 10.34 2 14.8 24.2
10 1 2 1 23.434 46.867 0.222 10.11 8 26.2 295.4
11 2 1 0 23.836 47.672 0.226 9.73 4 13.1 35.5
12 1 4 0 24.166 48.333 0.229 9.43 4 47.5 452.6
13 2 2 0 25.656 51.312 0.242 8.23 4 11.8 24.4
14 1 3 1 26.45 52.9 0.249 7.68 8 13.1 56.1
15 0 4 1 27.689 55.379 0.26 6.92 4 28.7 121.1
16 2 3 0 28.502 57.003 0.267 6.48 4 10.0 13.7
17 1 5 0 29.336 58.673 0.274 6.07 4 13.9 24.9
18 2 1 1 30.03 60.06 0.28 5.76 8 34.2 287.2
19 1 4 1 30.313 60.625 0.282 5.64 8 16.0 61.5
20 2 2 1 31.603 63.205 0.293 5.14 8 59.2 765.6
21 2 4 0 32.206 64.411 0.298 4.94 4 43.9 202.0
22 0 6 0 32.567 65.135 0.301 4.82 2 37.5 72.1
23 2 3 1 34.133 68.265 0.314 4.36 8 32.6 197.8
24 1 5 1 34.89 69.779 0.32 4.17 8 55.0 535.8
25 1 6 0 34.975 69.949 0.32 4.15 4 11.8 12.3
26 0 0 2 36.186 72.371 0.33 3.88 2 81.7 275.3
27 2 5 0 36.66 73.32 0.334 3.78 4 39.0 122.1
28 3 1 0 36.714 73.428 0.334 3.77 4 10.1 8.2
29 2 4 1 37.535 75.071 0.341 3.62 8 20.1 62.0
30 0 6 1 37.874 75.747 0.343 3.56 4 62.1 292.3
31 0 2 2 38.102 76.204 0.345 3.53 4 13.0 12.7
32 3 2 0 38.148 76.295 0.345 3.52 4 40.4 122.4
33 1 1 2 38.965 77.929 0.352 3.39 8 31.7 145.4
34 1 6 1 40.148 80.296 0.36 3.24 8 0.1 0.0
35 1 2 2 40.373 80.745 0.362 3.21 8 15.1 30.9
36 3 3 0 40.5 81.0 0.363 3.19 4 40.5 111.3
37 1 7 0 41.162 82.323 0.368 3.12 4 45.7 138.8
38 3 0 1 41.351 82.702 0.369 3.1 4 40.3 107.3
39 2 5 1 41.763 83.526 0.372 3.06 8 2.7 0.9
40 3 1 1 41.816 83.631 0.373 3.06 8 15.0 29.1
41 2 6 0 41.844 83.687 0.373 3.05 4 27.1 47.7
42 1 3 2 42.696 85.392 0.379 2.98 8 36.1 165.0
43 3 2 1 43.204 86.409 0.383 2.94 8 21.2 55.9
44 0 4 2 43.702 87.404 0.386 2.9 4 35.3 77.1
45 3 4 0 43.746 87.492 0.387 2.9 4 5.4 1.8
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 0 2 0 10.337 20.673 4.985 200.8 11.9 11.9 5.6
2 1 1 0 12.503 25.005 4.13179 1687.3 100.0 100.0 5.6
3 1 2 0 15.455 30.91 3.35658 216.9 12.9 12.8 5.6
4 1 3 0 19.484 38.969 2.68164 661.6 39.2 38.7 5.7
5 0 2 1 20.21 40.419 2.58922 310.3 18.4 18.1 5.7
6 1 0 1 20.788 41.576 2.52026 111.5 6.6 6.5 5.7
7 0 4 0 21.03 42.06 2.4925 267.8 15.9 15.6 5.7
8 1 1 1 21.474 42.947 2.4434 1353.2 80.2 78.9 5.7
9 2 0 0 23.206 46.412 2.27 24.2 1.4 1.4 5.7
10 1 2 1 23.434 46.867 2.24916 295.4 17.5 17.2 5.7
11 2 1 0 23.836 47.672 2.21336 35.5 2.1 2.1 5.7
12 1 4 0 24.166 48.333 2.18488 452.6 26.8 26.2 5.7
13 2 2 0 25.656 51.312 2.06589 24.4 1.4 1.4 5.8
14 1 3 1 26.45 52.9 2.00813 56.1 3.3 3.2 5.8
15 0 4 1 27.689 55.379 1.92491 121.1 7.2 7.0 5.8
16 1 5 0 29.336 58.673 1.82567 24.9 1.5 1.4 5.8
17 2 1 1 30.03 60.06 1.78729 287.2 17.0 16.4 5.8
18 1 4 1 30.313 60.625 1.7722 61.5 3.6 3.5 5.8
19 2 2 1 31.603 63.205 1.7069 765.6 45.4 43.5 5.9
20 2 4 0 32.206 64.411 1.67829 202.0 12.0 11.5 5.9
21 0 6 0 32.567 65.135 1.66167 72.1 4.3 4.1 5.9
22 2 3 1 34.133 68.265 1.59408 197.8 11.7 11.1 5.9
23 1 5 1 34.89 69.779 1.56375 535.8 31.8 30.1 5.9
24 0 0 2 36.186 72.371 1.515 275.3 16.3 15.4 5.9
25 2 5 0 36.66 73.32 1.4981 122.1 7.2 6.8 6.0
26 2 4 1 37.535 75.071 1.46813 62.0 3.7 3.5 6.0
27 0 6 1 37.874 75.747 1.45696 292.3 17.3 16.2 6.0
28 3 2 0 38.148 76.295 1.44808 122.4 7.3 6.8 6.0
29 1 1 2 38.965 77.929 1.4224 145.4 8.6 8.0 6.0
30 1 2 2 40.373 80.745 1.38086 30.9 1.8 1.7 6.1
31 3 3 0 40.5 81.0 1.37726 111.3 6.6 6.1 6.1
32 1 7 0 41.162 82.323 1.35898 138.8 8.2 7.6 6.1
33 3 0 1 41.351 82.702 1.35386 107.3 6.4 5.9 6.1
34 2 6 0 41.844 83.687 1.34082 76.8 4.6 4.2 6.1
35 1 3 2 42.696 85.392 1.31905 165.0 9.8 9.0 6.1
36 3 2 1 43.204 86.409 1.30654 55.9 3.3 3.0 6.1
37 0 4 2 43.702 87.404 1.29461 77.1 4.6 4.2 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)
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