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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TETRAHEDRITE-(ZN)
1, t-tennantite-tetrahedrite, f-fahlores, sf-proper-fahlores, s-goldfieldite
Cu(6)[Cu(4)Zn(2)]Sb(4)S(13)
Cubic I 4(-)3m Z = 2
R =0.0327 NR =200
28 .2 .24
Ref.Str.:
C. Biagioni, L.L. George, N.J. Cook, E. Makovicky, Y. Moelo,
M. Pasero, Ji.Sejkora, C.J. Stanley, M.D. Welch, F. Bosi (2020)
* Amer. Mineral., 105, 109-122, DOI: 10.2138/am-2020-7128
L: $Cu10.08 Zn1.74 Fe0.18 S13.4 Sb3.97 As0.09$
R: Locality - Horhausen, Rhineland, Germany. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.3798 alpha = 90.0
b = 10.3798 beta = 90.0
c = 10.3798 gamma = 90.0
Unit cell volume (cub. angs.) = 1118.32
Molar volume ( cub.cm/mol.) = 336.8
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.783 0.0 Cu = 1.00
2 0.25 0.5 0.0 0.0 Cu = 0.74, Ni = 0.26
3 0.2682 0.2682 0.2682 0.0 Sb = 1.00
4 0.1159 0.1159 0.3612 0.0 S = 1.00
5 0.0 0.0 0.0 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 0.783
2 2 0.25 0.5 0.0
3 3 0.2682 0.2682 0.2682
4 4 0.1159 0.1159 0.3612
5 5 0.0 0.0 0.0
6 1 0.5 0.5 0.283
7 2 0.25 0.0 0.5
8 3 0.2318 0.2318 0.7682
9 4 0.3841 0.3841 0.8612
10 5 0.5 0.5 0.5
11 1 0.0 0.0 0.217
12 2 0.5 0.75 0.0
13 2 0.75 0.5 0.0
14 2 0.5 0.25 0.0
15 3 0.2682 0.7318 0.7318
16 3 0.7318 0.7318 0.2682
17 3 0.7318 0.2682 0.7318
18 4 0.1159 0.8841 0.6388
19 4 0.8841 0.8841 0.3612
20 4 0.8841 0.1159 0.6388
21 1 0.5 0.5 0.717
22 2 0.0 0.75 0.5
23 2 0.75 0.0 0.5
24 2 0.0 0.25 0.5
25 3 0.2318 0.7682 0.2318
26 3 0.7682 0.7682 0.7682
27 3 0.7682 0.2318 0.2318
28 4 0.3841 0.6159 0.1388
29 4 0.6159 0.6159 0.8612
30 4 0.6159 0.3841 0.1388
31 1 0.0 0.783 0.0
32 1 0.783 0.0 0.0
33 2 0.5 0.0 0.25
34 4 0.1159 0.3612 0.1159
35 4 0.3612 0.1159 0.1159
36 1 0.5 0.283 0.5
37 1 0.283 0.5 0.5
38 2 0.0 0.5 0.25
39 4 0.3841 0.8612 0.3841
40 4 0.8612 0.3841 0.3841
41 1 0.0 0.217 0.0
42 1 0.217 0.0 0.0
43 2 0.0 0.5 0.75
44 2 0.5 0.0 0.75
45 4 0.8841 0.6388 0.1159
46 4 0.6388 0.1159 0.8841
47 4 0.8841 0.3612 0.8841
48 4 0.3612 0.8841 0.8841
49 4 0.1159 0.6388 0.8841
50 4 0.6388 0.8841 0.1159
51 1 0.5 0.717 0.5
52 1 0.717 0.5 0.5
53 4 0.6159 0.1388 0.3841
54 4 0.1388 0.3841 0.6159
55 4 0.6159 0.8612 0.6159
56 4 0.8612 0.6159 0.6159
57 4 0.3841 0.1388 0.6159
58 4 0.1388 0.6159 0.3841
X-ray density (g/cm cub.) = 4.92
MU (1/cm) = 913.449 Mass attenuation coefficient (cm**2/g) = 185.493
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.36 3
2.2527 5
2.2659 4
2.2659 4
2 Cu ,Ni 3.36 4
2.3366 4
2.3366 4
2.3366 4
2.3366 4
3 Sb 3.264 3
2.4351 4
2.4351 4
2.4351 4
4 S 4.368 10
4.1174 5
3.7533 4
3.4024 4
3.7533 4
3.6014 4
3.6014 4
3.8464 4
3.8464 4
3.8464 4
3.8464 4
5 S 4.368 12
4.1174 4
4.1174 4
4.1174 4
4.1174 4
4.1174 4
4.1174 4
4.1174 4
4.1174 4
4.1174 4
4.1174 4
4.1174 4
4.1174 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 1 1 0 7.0 14.0 0.068 131.71 12 34.6 151.6
2 2 0 0 9.924 19.849 0.096 64.42 6 105.7 344.9
3 1 1 2 12.186 24.371 0.118 42.01 24 55.6 249.6
4 2 2 0 14.107 28.214 0.136 30.83 12 170.5 860.1
5 3 1 0 15.813 31.627 0.152 24.14 24 33.1 50.7
6 2 2 2 17.368 34.737 0.167 19.7 8 930.4 10907.3
7 3 2 1 18.81 37.62 0.18 16.54 48 112.3 800.1
8 4 0 0 20.163 40.326 0.193 14.18 6 627.9 2681.5
9 1 1 4 21.445 42.889 0.204 12.35 24 190.3 858.4
10 3 3 0 21.445 42.889 0.204 12.35 12 113.9 153.8
11 4 2 0 22.667 45.334 0.215 10.9 24 90.7 172.0
12 3 3 2 23.84 47.68 0.226 9.73 24 147.4 405.4
13 2 2 4 24.971 49.942 0.236 8.75 24 80.0 107.6
14 4 3 1 26.066 52.131 0.246 7.94 48 138.6 585.3
15 5 1 0 26.066 52.131 0.246 7.94 24 159.7 388.6
16 5 2 1 28.164 56.327 0.264 6.66 48 163.9 686.4
17 4 4 0 29.174 58.349 0.272 6.15 12 961.2 5449.1
18 3 3 4 30.164 60.327 0.281 5.7 24 149.8 245.6
19 5 3 0 30.164 60.327 0.281 5.7 24 37.8 15.6
20 4 4 2 31.134 62.268 0.289 5.32 24 75.4 58.0
21 6 0 0 31.134 62.268 0.289 5.32 6 26.5 1.8
22 1 1 6 32.087 64.174 0.297 4.98 24 268.8 689.9
23 5 3 2 32.087 64.174 0.297 4.98 48 83.5 133.2
24 6 2 0 33.025 66.05 0.305 4.68 24 127.5 145.8
25 5 4 1 33.95 67.9 0.312 4.41 48 121.1 248.4
26 2 2 6 34.862 69.725 0.32 4.18 24 657.7 3468.0
27 6 3 1 35.764 71.529 0.327 3.97 48 132.1 265.8
28 4 4 4 36.657 73.314 0.334 3.79 8 459.6 511.5
29 5 4 3 37.542 75.083 0.341 3.62 48 118.2 194.2
30 5 5 0 37.542 75.083 0.341 3.62 12 261.5 237.6
31 7 1 0 37.542 75.083 0.341 3.62 24 116.3 94.0
32 6 4 0 38.419 76.837 0.347 3.48 24 43.0 12.3
33 3 3 6 39.29 78.579 0.354 3.35 24 161.4 167.4
34 5 5 2 39.29 78.579 0.354 3.35 24 79.2 40.3
35 7 2 1 39.29 78.579 0.354 3.35 48 46.8 28.1
36 6 4 2 40.155 80.31 0.36 3.24 48 63.2 49.6
37 7 3 0 41.016 82.033 0.367 3.14 24 6.0 0.2
38 6 5 1 42.729 85.457 0.379 2.98 48 139.9 223.7
39 7 3 2 42.729 85.457 0.379 2.98 48 165.9 314.3
40 8 0 0 43.581 87.163 0.385 2.91 6 725.3 734.8
41 1 1 8 44.433 88.866 0.391 2.86 24 159.7 140.0
42 5 5 4 44.433 88.866 0.391 2.86 24 214.6 252.5
43 7 4 1 44.433 88.866 0.391 2.86 48 110.9 134.9
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 7.0 14.0 7.33963 151.6 1.4 1.4 5.6
2 2 0 0 9.924 19.849 5.1899 344.9 3.2 3.2 5.6
3 1 1 2 12.186 24.371 4.23754 249.6 2.3 2.3 5.6
4 2 2 0 14.107 28.214 3.66981 860.1 7.9 7.9 5.6
5 2 2 2 17.368 34.737 2.99639 10907.3 100.0 100.0 5.7
6 3 2 1 18.81 37.62 2.77412 800.1 7.3 7.3 5.7
7 4 0 0 20.163 40.326 2.59495 2681.5 24.6 24.5 5.7
8 1 1 4 21.445 42.889 2.44654 1012.1 9.3 9.2 5.7
9 4 2 0 22.667 45.334 2.32099 172.0 1.6 1.6 5.7
10 3 3 2 23.84 47.68 2.21298 405.4 3.7 3.7 5.7
11 4 3 1 26.066 52.131 2.03565 973.9 8.9 8.8 5.8
12 5 2 1 28.164 56.327 1.89508 686.4 6.3 6.1 5.8
13 4 4 0 29.174 58.349 1.83491 5449.1 50.0 48.6 5.8
14 3 3 4 30.164 60.327 1.78012 261.2 2.4 2.3 5.8
15 1 1 6 32.087 64.174 1.68383 823.1 7.5 7.3 5.9
16 6 2 0 33.025 66.05 1.64119 145.8 1.3 1.3 5.9
17 5 4 1 33.95 67.9 1.60164 248.4 2.3 2.2 5.9
18 2 2 6 34.862 69.725 1.56481 3468.0 31.8 30.4 5.9
19 6 3 1 35.764 71.529 1.53042 265.8 2.4 2.3 5.9
20 4 4 4 36.657 73.314 1.4982 511.5 4.7 4.5 6.0
21 5 5 0 37.542 75.083 1.46793 525.8 4.8 4.6 6.0
22 3 3 6 39.29 78.579 1.41251 235.9 2.2 2.0 6.0
23 7 3 2 42.729 85.457 1.31824 538.0 4.9 4.6 6.1
24 8 0 0 43.581 87.163 1.29747 734.8 6.7 6.2 6.2
25 5 5 4 44.433 88.866 1.27767 527.4 4.8 4.4 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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