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-(NI)
1, t-tennantite-tetrahedrite, f-fahlores, sf-proper-fahlores, s-goldfieldite
Cu(6)[Cu(4)Ni(2)]Sb(4)S(13)
Cubic I 4(-)3m Z = 2
R =0.0327 NR =200
7 .12 .23
Ref.Str.:
Yanjuan Wang, Rujun Chen, Xiangping Gu, Fabrizio Nestola, Zengqian Hou,
Zhusen Yang, Guochen Dong, Hu Guo, Kai Qu (2023)
* Amer. Mineral., 108, 1984-1992, DOI: 10.2138/am-2022-8761
L: $Cu10.02 Ni1.44 Fe0.54 S13 Sb3.85 As0.15$
R: IMA2021-031. Locality - Luobusa chromite deposits, Tibet, China.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.3478 alpha = 90.0
b = 10.3478 beta = 90.0
c = 10.3478 gamma = 90.0
Unit cell volume (cub. angs.) = 1108.01
Molar volume ( cub.cm/mol.) = 333.7
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.2176 0.0 0.0 Cu = 1.00
2 0.75 0.5 0.0 0.0 Cu = 0.67, Ni = 0.24, Fe = 0.09
3 0.7315 0.2685 0.7315 0.0 Sb = 0.96, As = 0.04
4 0.8842 0.3627 0.8842 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 0.2176 0.0
2 2 0.75 0.5 0.0
3 3 0.7315 0.2685 0.7315
4 4 0.8842 0.3627 0.8842
5 5 0.0 0.0 0.0
6 1 0.5 0.2824 0.5
7 2 0.75 0.0 0.5
8 3 0.7685 0.2315 0.2315
9 4 0.6158 0.1373 0.3842
10 5 0.5 0.5 0.5
11 1 0.2176 0.0 0.0
12 1 0.0 0.7824 0.0
13 1 0.7824 0.0 0.0
14 2 0.5 0.25 0.0
15 2 0.25 0.5 0.0
16 2 0.5 0.75 0.0
17 3 0.2685 0.2685 0.2685
18 3 0.2685 0.7315 0.7315
19 3 0.7315 0.7315 0.2685
20 4 0.3627 0.1158 0.1158
21 4 0.1158 0.6373 0.8842
22 4 0.6373 0.8842 0.1158
23 1 0.2824 0.5 0.5
24 1 0.5 0.7176 0.5
25 1 0.7176 0.5 0.5
26 2 0.0 0.25 0.5
27 2 0.25 0.0 0.5
28 2 0.0 0.75 0.5
29 3 0.2315 0.2315 0.7685
30 3 0.2315 0.7685 0.2315
31 3 0.7685 0.7685 0.7685
32 4 0.1373 0.3842 0.6158
33 4 0.3842 0.8627 0.3842
34 4 0.8627 0.6158 0.6158
35 4 0.3627 0.8842 0.8842
36 4 0.1373 0.6158 0.3842
37 4 0.1158 0.3627 0.1158
38 4 0.6373 0.1158 0.8842
39 4 0.8842 0.6373 0.1158
40 4 0.3842 0.1373 0.6158
41 4 0.8627 0.3842 0.3842
42 4 0.6158 0.8627 0.6158
43 1 0.0 0.0 0.2176
44 2 0.5 0.0 0.75
45 4 0.8842 0.8842 0.3627
46 1 0.5 0.5 0.2824
47 2 0.0 0.5 0.75
48 4 0.3842 0.6158 0.1373
49 1 0.0 0.0 0.7824
50 2 0.0 0.5 0.25
51 2 0.5 0.0 0.25
52 4 0.1158 0.1158 0.3627
53 4 0.8842 0.1158 0.6373
54 1 0.5 0.5 0.7176
55 4 0.3842 0.3842 0.8627
56 4 0.6158 0.6158 0.8627
57 4 0.6158 0.3842 0.1373
58 4 0.1158 0.8842 0.6373
X-ray density (g/cm cub.) = 4.94
MU (1/cm) = 900.483 Mass attenuation coefficient (cm**2/g) = 182.391
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.36 3
2.2641 4
2.2517 5
2.2641 4
2 Cu ,Ni ,Fe 3.36 4
2.3201 4
2.3201 4
2.3201 4
2.3201 4
3 Sb ,As 3.264 3
2.4378 4
2.4378 4
2.4378 4
4 S 4.368 10
4.118 5
3.7172 4
3.8239 4
3.8239 4
3.3892 4
3.6131 4
3.7172 4
3.6131 4
3.8239 4
3.8239 4
5 S 4.368 12
4.118 4
4.118 4
4.118 4
4.118 4
4.118 4
4.118 4
4.118 4
4.118 4
4.118 4
4.118 4
4.118 4
4.118 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 7.022 14.043 0.068 130.88 12 33.8 146.4
2 2 0 0 9.955 19.911 0.097 64.0 6 99.3 308.1
3 1 1 2 12.224 24.448 0.118 41.74 24 54.5 242.3
4 2 2 0 14.152 28.303 0.137 30.63 12 166.1 826.1
5 3 1 0 15.863 31.727 0.153 23.98 24 34.2 54.8
6 2 2 2 17.424 34.847 0.167 19.56 8 921.3 10820.6
7 3 2 1 18.87 37.741 0.181 16.42 48 112.7 815.1
8 4 0 0 20.228 40.456 0.193 14.08 6 617.4 2622.6
9 1 1 4 21.514 43.028 0.205 12.26 24 189.9 864.3
10 3 3 0 21.514 43.028 0.205 12.26 12 108.2 140.3
11 4 2 0 22.741 45.482 0.216 10.82 24 88.0 163.7
12 3 3 2 23.919 47.837 0.227 9.65 24 146.5 404.9
13 2 2 4 25.054 50.107 0.237 8.69 24 76.6 99.7
14 4 3 1 26.152 52.304 0.246 7.88 48 136.2 571.2
15 5 1 0 26.152 52.304 0.246 7.88 24 163.5 411.6
16 5 2 1 28.258 56.517 0.265 6.61 48 159.7 658.6
17 4 4 0 29.273 58.547 0.273 6.1 12 952.9 5414.4
18 3 3 4 30.267 60.533 0.282 5.66 24 147.6 241.1
19 5 3 0 30.267 60.533 0.282 5.66 24 37.8 15.8
20 4 4 2 31.241 62.482 0.29 5.28 24 68.9 48.9
21 6 0 0 31.241 62.482 0.29 5.28 6 24.1 1.5
22 1 1 6 32.198 64.396 0.298 4.94 24 263.7 671.6
23 5 3 2 32.198 64.396 0.298 4.94 48 82.5 131.4
24 6 2 0 33.14 66.281 0.306 4.64 24 121.0 132.9
25 5 4 1 34.069 68.138 0.313 4.38 48 121.1 251.3
26 2 2 6 34.986 69.972 0.321 4.15 24 649.2 3417.2
27 6 3 1 35.892 71.784 0.328 3.94 48 131.7 267.3
28 4 4 4 36.789 73.578 0.335 3.76 8 448.9 493.7
29 5 4 3 37.678 75.356 0.342 3.6 48 116.6 191.4
30 5 5 0 37.678 75.356 0.342 3.6 12 257.7 233.5
31 7 1 0 37.678 75.356 0.342 3.6 24 114.1 91.6
32 6 4 0 38.559 77.119 0.348 3.46 24 49.1 16.3
33 3 3 6 39.435 78.869 0.355 3.33 24 162.2 171.2
34 5 5 2 39.435 78.869 0.355 3.33 24 74.5 36.1
35 7 2 1 39.435 78.869 0.355 3.33 48 46.5 28.1
36 6 4 2 40.305 80.61 0.362 3.22 48 61.3 47.2
37 7 3 0 41.171 82.341 0.368 3.12 24 3.0 0.1
38 6 5 1 42.893 85.785 0.38 2.96 48 137.3 218.2
39 7 3 2 42.893 85.785 0.38 2.96 48 168.7 329.6
40 8 0 0 43.75 87.501 0.387 2.9 6 718.0 730.7
41 1 1 8 44.607 89.214 0.393 2.85 24 158.7 140.2
42 5 5 4 44.607 89.214 0.393 2.85 24 218.9 266.9
43 7 4 1 44.607 89.214 0.393 2.85 48 108.4 130.8
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 7.022 14.043 7.317 146.4 1.4 1.4 5.6
2 2 0 0 9.955 19.911 5.1739 308.1 2.8 2.9 5.6
3 1 1 2 12.224 24.448 4.22447 242.3 2.2 2.3 5.6
4 2 2 0 14.152 28.303 3.6585 826.1 7.6 7.7 5.6
5 2 2 2 17.424 34.847 2.98715 10820.6 100.0 100.0 5.7
6 3 2 1 18.87 37.741 2.76557 815.1 7.5 7.5 5.7
7 4 0 0 20.228 40.456 2.58695 2622.6 24.2 24.1 5.7
8 1 1 4 21.514 43.028 2.439 1004.6 9.3 9.2 5.7
9 4 2 0 22.741 45.482 2.31384 163.7 1.5 1.5 5.7
10 3 3 2 23.919 47.837 2.20616 404.9 3.7 3.7 5.7
11 4 3 1 26.152 52.304 2.02937 982.8 9.1 8.9 5.8
12 5 2 1 28.258 56.517 1.88924 658.6 6.1 5.9 5.8
13 4 4 0 29.273 58.547 1.82925 5414.4 50.0 48.7 5.8
14 3 3 4 30.267 60.533 1.77463 256.9 2.4 2.3 5.8
15 1 1 6 32.198 64.396 1.67863 803.0 7.4 7.2 5.9
16 6 2 0 33.14 66.281 1.63613 132.9 1.2 1.2 5.9
17 5 4 1 34.069 68.138 1.5967 251.3 2.3 2.2 5.9
18 2 2 6 34.986 69.972 1.55999 3417.2 31.6 30.2 5.9
19 6 3 1 35.892 71.784 1.5257 267.3 2.5 2.4 5.9
20 4 4 4 36.789 73.578 1.49358 493.7 4.6 4.3 6.0
21 5 5 0 37.678 75.356 1.4634 516.5 4.8 4.5 6.0
22 3 3 6 39.435 78.869 1.40816 235.3 2.2 2.0 6.0
23 7 3 2 42.893 85.785 1.31417 547.8 5.1 4.7 6.1
24 8 0 0 43.75 87.501 1.29348 730.7 6.8 6.2 6.2
25 5 5 4 44.607 89.214 1.27373 538.0 5.0 4.5 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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