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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KURAMITE
1, t-stannite, f-stannite, sf-proper-stannite, s-stannite
Cu(3)SnS(4)
Tetragonal I 4(-)2m Z = 2
I4(-)2m
22 .6 .1999
Ref.Str.:
Wyckoff R.W.G. (1963)
* Crystal Structures, 3, 159-160
Ref.Composition & Lattice:
Kovalenker E.A., Evstigneeva T.L., Nroneva N.V., Vyalsov L.N. (1979)
* Zapiski VMO, 108, 564-569
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.445 alpha = 90.0
b = 5.445 beta = 90.0
c = 10.75 gamma = 90.0
Unit cell volume (cub. angs.) = 318.72
Molar volume ( cub.cm/mol.) = 95.99
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 Cu = 1.00
2 0.0 0.0 0.5 0.0 Sn = 1.00
3 0.0 0.5 0.25 0.0 Cu = 1.00
4 0.245 0.245 0.132 0.0 S = 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 0.5
3 3 0.0 0.5 0.25
4 4 0.245 0.245 0.132
5 3 0.5 0.0 0.75
6 4 0.245 0.755 0.868
7 4 0.755 0.755 0.132
8 4 0.755 0.245 0.868
9 3 0.0 0.5 0.75
10 3 0.5 0.0 0.25
11 1 0.5 0.5 0.5
12 2 0.5 0.5 0.0
13 4 0.255 0.255 0.632
14 4 0.255 0.745 0.368
15 4 0.745 0.745 0.632
16 4 0.745 0.255 0.368
X-ray density (g/cm cub.) = 4.56
MU (1/cm) = 804.885 Mass attenuation coefficient (cm**2/g) = 176.585
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.36 4
2.3607 4
2.3607 4
2.3607 4
2.3607 4
2 Sn 3.408 4
2.4227 4
2.4227 4
2.4227 4
2.4227 4
3 Cu 3.36 4
2.3058 4
2.3058 4
2.3058 4
2.3058 4
4 S 4.368 12
3.9706 4
3.8952 4
3.9272 4
3.851 4
3.851 4
3.7732 4
3.9706 4
3.8952 4
3.7217 4
3.7217 4
3.7217 4
3.7217 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 9.579 19.158 0.093 69.3 2 27.8 105.8
2 1 0 1 10.611 21.222 0.103 56.08 8 34.8 536.1
3 1 1 0 13.433 26.867 0.13 34.21 4 35.3 167.7
4 1 1 2 16.605 33.209 0.16 21.72 8 261.9 11734.8
5 1 0 3 17.387 34.774 0.167 19.65 8 34.8 186.9
6 2 0 0 19.18 38.361 0.184 15.84 4 144.5 1302.1
7 0 0 4 19.44 38.88 0.186 15.37 2 145.7 642.2
8 2 0 2 21.61 43.22 0.206 12.14 8 37.2 132.4
9 2 1 1 22.125 44.25 0.211 11.51 16 31.3 177.6
10 1 1 4 23.946 47.893 0.227 9.63 8 31.6 75.6
11 2 1 3 26.366 52.733 0.248 7.73 16 24.9 75.5
12 1 0 5 26.57 53.139 0.25 7.6 8 27.9 46.7
13 2 2 0 27.686 55.373 0.26 6.92 4 295.0 2372.0
14 2 0 4 27.883 55.766 0.261 6.81 8 293.3 4613.5
15 2 2 2 29.573 59.146 0.276 5.96 8 18.4 16.0
16 0 0 6 29.949 59.899 0.279 5.8 2 44.4 22.5
17 3 0 1 29.986 59.972 0.279 5.78 8 29.6 39.9
18 3 1 0 31.297 62.594 0.29 5.26 8 24.0 23.8
19 3 1 2 33.057 66.115 0.305 4.67 16 217.9 3489.6
20 1 1 6 33.411 66.822 0.308 4.56 8 216.4 1683.6
21 3 0 3 33.534 67.067 0.309 4.53 8 17.9 11.5
22 2 1 5 33.709 67.419 0.31 4.48 16 22.3 35.1
23 2 2 4 34.857 69.715 0.319 4.18 8 133.5 586.5
24 2 0 6 36.701 73.402 0.334 3.78 8 4.2 0.5
25 3 2 1 36.734 73.469 0.334 3.77 16 18.0 19.2
26 1 0 7 37.24 74.481 0.338 3.68 8 20.0 11.5
27 3 1 4 38.093 76.187 0.345 3.53 16 24.7 34.0
28 3 2 3 39.997 79.993 0.359 3.26 16 26.0 34.7
29 3 0 5 40.161 80.322 0.361 3.23 8 17.6 7.9
30 4 0 0 41.078 82.156 0.367 3.13 4 254.9 800.7
31 0 0 8 41.732 83.464 0.372 3.06 2 249.8 376.4
32 4 0 2 42.674 85.349 0.379 2.98 8 14.6 5.0
33 2 2 6 43.0 85.999 0.381 2.95 8 36.8 31.6
34 4 1 1 43.032 86.063 0.381 2.95 16 19.7 18.0
35 2 1 7 43.519 87.038 0.385 2.92 16 21.8 21.9
36 3 3 0 44.183 88.365 0.39 2.87 4 20.4 4.7
37 1 1 8 44.831 89.662 0.394 2.84 8 29.4 19.3
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 0 1 10.611 21.222 4.85744 536.1 4.6 4.6 5.6
2 1 1 0 13.433 26.867 3.8502 167.7 1.4 1.4 5.6
3 1 1 2 16.605 33.209 3.13003 11734.8 100.0 100.0 5.6
4 1 0 3 17.387 34.774 2.9933 186.9 1.6 1.6 5.7
5 2 0 0 19.18 38.361 2.7225 1302.1 11.1 11.0 5.7
6 0 0 4 19.44 38.88 2.6875 642.2 5.5 5.4 5.7
7 2 0 2 21.61 43.22 2.42872 132.4 1.1 1.1 5.7
8 2 1 1 22.125 44.25 2.37491 177.6 1.5 1.5 5.7
9 2 2 0 27.686 55.373 1.9251 2372.0 20.2 19.7 5.8
10 2 0 4 27.883 55.766 1.9126 4613.5 39.3 38.4 5.8
11 3 1 2 33.057 66.115 1.63978 3489.6 29.7 28.6 5.9
12 1 1 6 33.411 66.822 1.6244 1683.6 14.3 13.8 5.9
13 2 2 4 34.857 69.715 1.56501 586.5 5.0 4.8 5.9
14 4 0 0 41.078 82.156 1.36125 800.7 6.8 6.3 6.1
15 0 0 8 41.732 83.464 1.34375 376.4 3.2 3.0 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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