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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BURTITE
1, g-wickmanite
CaSn(OH)(6)
Cubic * Pn3m Z = 4
*Pn3m
4 .8 .1999
Ref.Str.:
Moore P.B., Smith J.V. (1967)
* Ark. Mineral. Geol., 4, 395-399
Ref.Composition & Lattice:
Sonnet P.M. (1981)
* Canad. Miner., 19, 397-40
Reserv:
The coordinates of atoms are considered to equel
to those of wickmanite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.128 alpha = 90.0
b = 8.128 beta = 90.0
c = 8.128 gamma = 90.0
Unit cell volume (cub. angs.) = 536.97
Molar volume ( cub.cm/mol.) = 80.86
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 Sn = 1.00
2 0.5 0.5 0.5 0.0 Ca = 1.00
3 0.0577 0.0577 0.244 0.0 OH = 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 0.5 0.5 0.5
3 3 0.0577 0.0577 0.244
4 3 0.9423 0.9423 0.756
5 1 0.0 0.5 0.5
6 1 0.5 0.5 0.0
7 1 0.5 0.0 0.5
8 2 0.5 0.0 0.0
9 2 0.0 0.0 0.5
10 2 0.0 0.5 0.0
11 3 0.9423 0.5577 0.744
12 3 0.4423 0.4423 0.244
13 3 0.5577 0.9423 0.744
14 3 0.0577 0.4423 0.256
15 3 0.5577 0.5577 0.756
16 3 0.4423 0.0577 0.256
17 3 0.0577 0.244 0.0577
18 3 0.244 0.0577 0.0577
19 3 0.9423 0.756 0.9423
20 3 0.756 0.9423 0.9423
21 3 0.5577 0.744 0.9423
22 3 0.744 0.9423 0.5577
23 3 0.4423 0.244 0.4423
24 3 0.244 0.4423 0.4423
25 3 0.9423 0.744 0.5577
26 3 0.744 0.5577 0.9423
27 3 0.4423 0.256 0.0577
28 3 0.256 0.0577 0.4423
29 3 0.5577 0.756 0.5577
30 3 0.756 0.5577 0.5577
31 3 0.0577 0.256 0.4423
32 3 0.256 0.4423 0.0577
X-ray density (g/cm cub.) = 3.23
MU (1/cm) = 470.526 Mass attenuation coefficient (cm**2/g) = 145.895
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Sn 2.904 6
2.0912 3
2.0912 3
2.0912 3
2.0912 3
2.0912 3
2.0912 3
2 Ca 2.928 6
2.1839 3
2.1839 3
2.1839 3
2.1839 3
2.1839 3
2.1839 3
3 OH 3.36 6
3.1275 3
3.1275 3
2.1415 3
2.1415 3
2.2794 3
2.2794 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 1 1 0 7.702 15.404 0.087 108.39 12 49.8 1120.8
2 1 1 1 9.448 18.895 0.107 71.3 8 119.1 2806.7
3 2 0 0 10.926 21.852 0.123 52.77 6 274.9 8297.8
4 1 1 2 13.423 26.846 0.151 34.27 24 21.1 126.9
5 2 2 0 15.548 31.096 0.174 25.04 12 182.9 3486.0
6 2 2 1 16.517 33.035 0.185 21.97 24 5.2 5.0
7 3 1 0 17.439 34.877 0.195 19.53 24 39.0 247.8
8 1 1 3 18.319 36.639 0.204 17.53 24 98.5 1415.9
9 2 2 2 19.165 38.33 0.213 15.87 8 141.9 886.7
10 3 2 1 20.768 41.537 0.23 13.27 48 3.5 2.8
11 4 0 0 22.276 44.553 0.246 11.34 6 252.4 1503.7
12 2 2 3 23.001 46.001 0.254 10.55 24 0.1 0.0
13 1 1 4 23.708 47.415 0.261 9.85 24 7.9 5.1
14 3 3 0 23.708 47.415 0.261 9.85 12 36.6 54.9
15 3 3 1 24.399 48.798 0.268 9.23 24 90.6 630.1
16 4 2 0 25.076 50.152 0.275 8.67 24 220.2 3500.2
17 4 2 1 25.74 51.48 0.282 8.17 48 0.1 0.0
18 3 3 2 26.392 52.783 0.289 7.72 24 72.1 334.1
19 2 2 4 27.663 55.326 0.301 6.93 24 199.0 2286.2
20 4 3 1 28.896 57.793 0.314 6.28 48 11.9 14.8
21 5 1 0 28.896 57.793 0.314 6.28 24 52.7 145.4
22 1 1 5 29.501 59.001 0.32 5.99 24 92.7 428.7
23 3 3 3 29.501 59.001 0.32 5.99 8 85.8 122.6
24 4 3 2 30.687 61.374 0.331 5.49 48 2.6 0.6
25 5 2 1 31.27 62.54 0.337 5.27 48 19.0 31.6
26 4 4 0 32.418 64.836 0.348 4.87 12 180.5 659.7
27 2 2 5 32.984 65.968 0.353 4.69 24 1.6 0.1
28 4 4 1 32.984 65.968 0.353 4.69 24 6.8 1.8
29 3 3 4 33.545 67.09 0.359 4.52 24 15.5 9.1
30 5 3 0 33.545 67.09 0.359 4.52 24 21.1 16.8
31 5 3 1 34.101 68.203 0.364 4.37 48 86.1 539.4
32 4 4 2 34.654 69.307 0.369 4.23 24 172.0 1041.5
33 6 0 0 34.654 69.307 0.369 4.23 6 111.2 108.7
34 1 1 6 35.746 71.492 0.379 3.97 24 13.6 6.2
35 5 3 2 35.746 71.492 0.379 3.97 48 24.1 38.4
36 6 2 0 36.825 73.65 0.389 3.75 24 147.7 681.4
37 4 4 3 37.36 74.719 0.394 3.65 24 6.2 1.2
38 6 2 1 37.36 74.719 0.394 3.65 48 5.4 1.8
39 5 4 1 37.892 75.783 0.399 3.56 48 12.3 8.9
40 3 3 5 38.421 76.843 0.403 3.48 24 80.7 188.4
41 2 2 6 38.949 77.897 0.408 3.4 24 165.2 771.3
42 5 4 2 39.474 78.948 0.413 3.32 48 3.1 0.5
43 6 3 1 39.997 79.995 0.417 3.26 48 14.2 10.9
44 4 4 4 41.039 82.079 0.426 3.13 8 154.7 208.1
45 6 3 2 41.558 83.116 0.431 3.08 48 0.8 0.0
46 5 4 3 42.076 84.152 0.435 3.03 48 18.7 17.6
47 5 5 0 42.076 84.152 0.435 3.03 12 63.5 50.8
48 7 1 0 42.076 84.152 0.435 3.03 24 9.5 2.3
49 1 1 7 42.593 85.186 0.439 2.99 24 69.0 118.5
50 5 5 1 42.593 85.186 0.439 2.99 24 73.5 134.4
51 6 4 0 43.109 86.218 0.444 2.95 24 133.6 437.8
52 6 4 1 43.624 87.249 0.448 2.91 48 2.7 0.3
53 3 3 6 44.139 88.279 0.452 2.88 24 5.0 0.6
54 5 5 2 44.139 88.279 0.452 2.88 24 10.4 2.6
55 7 2 1 44.139 88.279 0.452 2.88 48 0.7 0.0
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 1 1 0 7.702 15.404 5.74736 1120.8 13.5 13.6 5.6
2 1 1 1 9.448 18.895 4.6927 2806.7 33.8 33.9 5.6
3 2 0 0 10.926 21.852 4.064 8297.8 100.0 100.0 5.6
4 1 1 2 13.423 26.846 3.31824 126.9 1.5 1.5 5.6
5 2 2 0 15.548 31.096 2.87368 3486.0 42.0 41.7 5.6
6 3 1 0 17.439 34.877 2.5703 247.8 3.0 3.0 5.7
7 1 1 3 18.319 36.639 2.45068 1415.9 17.1 16.9 5.7
8 2 2 2 19.165 38.33 2.34635 886.7 10.7 10.5 5.7
9 4 0 0 22.276 44.553 2.032 1503.7 18.1 17.8 5.7
10 3 3 1 24.399 48.798 1.86469 630.1 7.6 7.4 5.7
11 4 2 0 25.076 50.152 1.81748 3500.2 42.2 41.1 5.7
12 3 3 2 26.392 52.783 1.7329 334.1 4.0 3.9 5.8
13 2 2 4 27.663 55.326 1.65912 2286.2 27.6 26.7 5.8
14 5 1 0 28.896 57.793 1.59403 160.2 1.9 1.9 5.8
15 1 1 5 29.501 59.001 1.56423 551.3 6.6 6.4 5.8
16 4 4 0 32.418 64.836 1.43684 659.7 8.0 7.6 5.9
17 5 3 1 34.101 68.203 1.37388 539.4 6.5 6.2 5.9
18 4 4 2 34.654 69.307 1.35467 1150.2 13.9 13.1 5.9
19 6 2 0 36.825 73.65 1.28515 681.4 8.2 7.7 6.0
20 3 3 5 38.421 76.843 1.23951 188.4 2.3 2.1 6.0
21 2 2 6 38.949 77.897 1.22534 771.3 9.3 8.7 6.0
22 4 4 4 41.039 82.079 1.17318 208.1 2.5 2.3 6.1
23 5 5 1 42.593 85.186 1.13815 252.9 3.0 2.8 6.1
24 6 4 0 43.109 86.218 1.12715 437.8 5.3 4.8 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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