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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RINGWOODITE
5, t-spinel, syn, f-olivine
(Mg,Fe)(2)SiO(4)
Cubic * Fd3m Z = 8
R =0.022 NR =1839
31 .5 .1904
Ref.Str.:
J.R. Smith et al. (2003)
* Amer. Mineral., 88, 1402-1407
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.0603 alpha = 90.0
b = 8.0603 beta = 90.0
c = 8.0603 gamma = 90.0
Unit cell volume (cub. angs.) = 523.66
Molar volume ( cub.cm/mol.) = 39.43
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.125 0.125 0.125 0.0 Si = 1.00
2 0.5 0.5 0.5 0.0 Mg = 0.85, Fe = 0.1
3 0.2435 0.2435 0.2435 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.125 0.125 0.125
2 2 0.5 0.5 0.5
3 3 0.2435 0.2435 0.2435
4 1 0.875 0.875 0.875
5 3 0.7565 0.7565 0.7565
6 1 0.375 0.875 0.375
7 1 0.625 0.125 0.625
8 1 0.375 0.375 0.875
9 2 0.0 0.25 0.75
10 2 0.25 0.75 0.0
11 2 0.75 0.0 0.25
12 3 0.2565 0.9935 0.4935
13 3 0.5065 0.0065 0.7435
14 3 0.4935 0.2565 0.9935
15 1 0.625 0.625 0.125
16 1 0.875 0.375 0.375
17 1 0.125 0.625 0.625
18 3 0.7435 0.5065 0.0065
19 3 0.9935 0.4935 0.2565
20 3 0.0065 0.7435 0.5065
21 2 0.0 0.75 0.25
22 2 0.75 0.25 0.0
23 2 0.25 0.0 0.75
24 3 0.2565 0.4935 0.9935
25 3 0.0065 0.5065 0.7435
26 3 0.9935 0.2565 0.4935
27 3 0.7435 0.0065 0.5065
28 3 0.4935 0.9935 0.2565
29 3 0.5065 0.7435 0.0065
30 2 0.25 0.25 0.5
31 2 0.25 0.5 0.25
32 2 0.0 0.5 0.0
33 2 0.75 0.5 0.75
34 2 0.0 0.0 0.5
35 2 0.5 0.25 0.25
36 2 0.5 0.0 0.0
37 2 0.5 0.75 0.75
38 2 0.75 0.75 0.5
39 3 0.5065 0.5065 0.2435
40 3 0.9935 0.7565 0.9935
41 3 0.7435 0.2435 0.7435
42 3 0.4935 0.7565 0.4935
43 3 0.7435 0.7435 0.2435
44 3 0.7565 0.9935 0.9935
45 3 0.2435 0.7435 0.7435
46 3 0.7565 0.4935 0.4935
47 3 0.0065 0.0065 0.2435
48 3 0.9935 0.9935 0.7565
49 3 0.5065 0.2435 0.5065
50 3 0.2565 0.7565 0.2565
51 3 0.0065 0.2435 0.0065
52 3 0.2565 0.2565 0.7565
53 3 0.2435 0.5065 0.5065
54 3 0.7565 0.2565 0.2565
55 3 0.2435 0.0065 0.0065
56 3 0.4935 0.4935 0.7565
X-ray density (g/cm cub.) = 3.68
MU (1/cm) = 173.387 Mass attenuation coefficient (cm**2/g) = 47.119
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.1 4
1.6549 3
1.6549 3
1.6549 3
1.6549 3
2 Mg ,Fe 2.592 6
2.0684 3
2.0684 3
2.0684 3
2.0684 3
2.0684 3
2.0684 3
3 O 3.264 12
2.8516 3
2.8516 3
2.8516 3
2.8516 3
2.8516 3
2.8516 3
2.997 3
2.7025 3
2.997 3
2.7025 3
2.997 3
2.7025 3
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 1 1 11.082 22.163 0.107 51.24 8 8.5 10.7
2 2 2 0 18.293 36.586 0.175 17.58 12 82.6 525.6
3 3 1 0 20.544 41.088 0.196 13.6 24 0.0 0.0
4 1 1 3 21.595 43.191 0.206 12.16 24 133.2 1888.7
5 2 2 2 22.608 45.215 0.215 10.97 8 21.5 14.7
6 4 0 0 26.352 52.704 0.248 7.74 6 222.8 841.1
7 3 3 1 28.928 57.856 0.27 6.27 24 33.9 63.1
8 2 2 4 32.932 65.864 0.304 4.71 24 64.6 172.1
9 1 1 5 35.213 70.427 0.322 4.09 24 90.3 292.0
10 3 3 3 35.213 70.427 0.322 4.09 8 129.4 199.9
11 4 4 0 38.884 77.769 0.351 3.41 12 288.0 1236.3
12 5 3 0 40.321 80.642 0.362 3.22 24 0.0 0.0
13 5 3 1 41.035 82.069 0.367 3.13 48 8.4 3.8
14 4 4 2 41.746 83.492 0.372 3.06 24 2.7 0.2
15 6 2 0 44.575 89.15 0.392 2.85 24 56.3 79.0
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 2 2 0 18.293 36.586 2.84974 525.6 27.8 28.0 5.7
2 1 1 3 21.595 43.191 2.43026 1888.7 100.0 100.0 5.7
3 4 0 0 26.352 52.704 2.01507 841.1 44.5 44.0 5.8
4 3 3 1 28.928 57.856 1.84915 63.1 3.3 3.3 5.8
5 2 2 4 32.932 65.864 1.6453 172.1 9.1 8.8 5.9
6 1 1 5 35.213 70.427 1.5512 491.9 26.0 25.1 5.9
7 4 4 0 38.884 77.769 1.42487 1236.3 65.5 62.1 6.0
8 6 2 0 44.575 89.15 1.27444 79.0 4.2 3.9 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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