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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BYSTROMITE
3, t-bystromite, analogue
MoRh(2)O(6)
Tetragonal P 4(2)/mnm Z = 2
P4(2)/mnm
22 .7 .19
Ref.Str.:
Badaud J., Fournier J., Omaly J. (1977)
* Comptes Rendus Hebdomadaires des Seances de l'Academie
des Sciences, 284, 921-923
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.606 alpha = 90.0
b = 4.606 beta = 90.0
c = 9.063 gamma = 90.0
Unit cell volume (cub. angs.) = 192.27
Molar volume ( cub.cm/mol.) = 57.91
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 Mo = 1.00
2 0.0 0.0 0.3333 0.0 Rh = 1.00
3 0.306 0.306 0.0 0.0 O = 1.00
4 0.308 0.308 0.3333 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 0.3333
3 3 0.306 0.306 0.0
4 4 0.308 0.308 0.3333
5 3 0.694 0.694 0.0
6 4 0.692 0.692 0.3333
7 1 0.5 0.5 0.5
8 2 0.5 0.5 0.8333
9 3 0.194 0.806 0.5
10 4 0.192 0.808 0.8333
11 3 0.806 0.194 0.5
12 4 0.808 0.192 0.8333
13 2 0.0 0.0 0.6667
14 4 0.308 0.308 0.6667
15 4 0.692 0.692 0.6667
16 2 0.5 0.5 0.1667
17 4 0.192 0.808 0.1667
18 4 0.808 0.192 0.1667
X-ray density (g/cm cub.) = 6.87
MU (1/cm) = 1455.533 Mass attenuation coefficient (cm**2/g) = 211.934
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mo 2.448 6
1.9932 3
1.9932 3
1.9613 4
1.9613 4
1.9613 4
1.9613 4
2 Rh 2.532 6
2.0063 4
2.0063 4
1.9696 3
1.9696 3
1.9606 4
1.9606 4
3 O 3.264 11
3.0207 4
2.5274 3
2.8115 4
2.7964 4
2.8115 4
2.7964 4
3.0207 4
2.8115 4
2.7964 4
2.8115 4
2.7964 4
4 O 3.264 11
3.0207 3
2.5013 4
2.7964 3
2.8115 3
2.7964 3
2.8115 3
3.0216 4
2.8052 4
2.8052 4
2.8052 4
2.8052 4
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 0 2 11.384 22.768 0.11 48.44 2 6.4 10.7
2 1 0 1 12.582 25.164 0.122 39.28 8 6.0 30.2
3 1 1 0 15.94 31.88 0.154 23.73 4 236.2 14319.8
4 1 1 1 16.967 33.935 0.163 20.73 8 0.2 0.0
5 1 1 2 19.768 39.535 0.189 14.82 8 6.2 12.4
6 1 0 3 20.737 41.475 0.198 13.32 8 187.4 10124.7
7 2 0 0 22.854 45.709 0.217 10.7 4 156.9 2849.7
8 0 0 4 23.252 46.504 0.221 10.29 2 5.5 1.7
9 1 1 3 23.818 47.637 0.226 9.75 8 54.6 628.2
10 2 1 0 25.736 51.473 0.243 8.17 8 36.5 235.0
11 2 0 2 25.828 51.656 0.244 8.11 8 5.6 5.6
12 2 1 1 26.443 52.886 0.249 7.68 16 5.2 9.1
13 2 1 2 28.489 56.978 0.267 6.49 16 0.3 0.0
14 1 1 4 28.745 57.489 0.269 6.36 8 5.0 3.4
15 2 1 3 31.706 63.413 0.294 5.11 16 194.6 8367.1
16 1 0 5 32.026 64.052 0.296 5.0 8 4.5 2.2
17 2 2 0 33.317 66.633 0.307 4.59 4 204.6 2080.1
18 2 0 4 33.628 67.256 0.31 4.5 8 4.6 2.1
19 2 2 1 33.922 67.844 0.312 4.42 8 0.4 0.0
20 1 1 5 34.384 68.769 0.316 4.3 8 0.1 0.0
21 2 2 2 35.708 71.416 0.326 3.98 8 3.9 1.3
22 2 1 4 35.934 71.869 0.328 3.93 16 0.2 0.0
23 3 0 1 36.22 72.44 0.33 3.87 8 4.4 1.6
24 0 0 6 36.311 72.621 0.331 3.85 2 215.5 968.7
25 3 1 0 37.886 75.773 0.343 3.56 8 154.6 1843.7
26 3 1 1 38.461 76.921 0.348 3.47 16 0.5 0.0
27 2 2 3 38.608 77.215 0.349 3.45 8 18.3 25.0
28 3 1 2 40.169 80.337 0.361 3.23 16 3.7 1.9
29 1 1 6 40.749 81.498 0.365 3.17 8 167.6 1924.4
30 3 0 3 40.806 81.613 0.365 3.16 8 197.8 2674.1
31 2 1 5 41.096 82.191 0.367 3.13 16 3.9 2.1
32 2 2 4 42.564 85.128 0.378 2.99 8 3.3 0.7
33 3 1 3 42.98 85.961 0.381 2.96 16 16.8 36.0
34 3 2 0 44.441 88.883 0.391 2.86 8 11.5 8.1
35 3 2 1 44.999 89.999 0.395 2.83 16 3.5 1.5
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 1 0 15.94 31.88 3.25693 14319.8 100.0 100.0 5.6
2 1 0 3 20.737 41.475 2.52612 10124.7 70.7 70.1 5.7
3 2 0 0 22.854 45.709 2.303 2849.7 19.9 19.6 5.7
4 1 1 3 23.818 47.637 2.21489 628.2 4.4 4.3 5.7
5 2 1 0 25.736 51.473 2.05987 235.0 1.6 1.6 5.8
6 2 1 3 31.706 63.413 1.70189 8367.1 58.4 56.3 5.9
7 2 2 0 33.317 66.633 1.62847 2080.1 14.5 13.9 5.9
8 0 0 6 36.311 72.621 1.5105 968.7 6.8 6.4 6.0
9 3 1 0 37.886 75.773 1.45654 1843.7 12.9 12.1 6.0
10 1 1 6 40.749 81.498 1.3703 1924.4 13.4 12.5 6.1
11 3 0 3 40.806 81.613 1.36871 2674.1 18.7 17.4 6.1
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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