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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TENNANTITE
3, t-tennantite-tetraedrite, Cu, f-fahlores, sf-proper fahlores,s-fahlores
Cu(3.13)As(0.98)Sb(0.02)S(3.25)
Cubic I 4(-)3m Z = 8
R =0.0295 NR =331
9 .11 .1905
Ref.Str.:
E. Makovicky, L. Karanovic, D. Poleti, T. Balic-Zunic, W. Paar (2005)
* Canad. Mineral., 43, 679-688
Reserv:
There are U(ij) in the article
The specimen from Cerro Atajo, northen Argentina. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.1756 alpha = 90.0
b = 10.1756 beta = 90.0
c = 10.1756 gamma = 90.0
Unit cell volume (cub. angs.) = 1053.61
Molar volume ( cub.cm/mol.) = 79.33
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.25 0.5 0.0 0.0 Cu = 1.00
2 0.2174 0.0 0.0 0.0 Cu = 0.75, Cu = 0.0
3 0.075 0.075 0.7861 0.0 Cu = 0.17, Cu = 0.0
4 0.2586 0.2586 0.2586 0.0 As = 0.98, Sb = 0.02
5 0.1184 0.1184 0.357 0.0 S = 1.00
6 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 0.25 0.5 0.0
2 2 0.2174 0.0 0.0
3 3 0.075 0.075 0.7861
4 4 0.2586 0.2586 0.2586
5 5 0.1184 0.1184 0.357
6 6 0.0 0.0 0.0
7 1 0.25 0.0 0.5
8 2 0.2826 0.5 0.5
9 3 0.425 0.425 0.2861
10 4 0.2414 0.2414 0.7586
11 5 0.3816 0.3816 0.857
12 6 0.5 0.5 0.5
13 1 0.5 0.75 0.0
14 1 0.75 0.5 0.0
15 1 0.5 0.25 0.0
16 2 0.0 0.7826 0.0
17 2 0.7826 0.0 0.0
18 2 0.0 0.2174 0.0
19 3 0.075 0.925 0.2139
20 3 0.925 0.925 0.7861
21 3 0.925 0.075 0.2139
22 4 0.2586 0.7414 0.7414
23 4 0.7414 0.7414 0.2586
24 4 0.7414 0.2586 0.7414
25 5 0.1184 0.8816 0.643
26 5 0.8816 0.8816 0.357
27 5 0.8816 0.1184 0.643
28 1 0.0 0.75 0.5
29 1 0.75 0.0 0.5
30 1 0.0 0.25 0.5
31 2 0.5 0.7174 0.5
32 2 0.7174 0.5 0.5
33 2 0.5 0.2826 0.5
34 3 0.425 0.575 0.7139
35 3 0.575 0.575 0.2861
36 3 0.575 0.425 0.7139
37 4 0.2414 0.7586 0.2414
38 4 0.7586 0.7586 0.7586
39 4 0.7586 0.2414 0.2414
40 5 0.3816 0.6184 0.143
41 5 0.6184 0.6184 0.857
42 5 0.6184 0.3816 0.143
43 1 0.5 0.0 0.25
44 2 0.0 0.0 0.2174
45 3 0.075 0.7861 0.075
46 3 0.7861 0.075 0.075
47 5 0.1184 0.357 0.1184
48 5 0.357 0.1184 0.1184
49 1 0.0 0.5 0.25
50 2 0.5 0.5 0.2826
51 3 0.425 0.2861 0.425
52 3 0.2861 0.425 0.425
53 5 0.3816 0.857 0.3816
54 5 0.857 0.3816 0.3816
55 1 0.0 0.5 0.75
56 1 0.5 0.0 0.75
57 2 0.0 0.0 0.7826
58 3 0.925 0.2139 0.075
59 3 0.2139 0.075 0.925
60 3 0.925 0.7861 0.925
61 3 0.7861 0.925 0.925
62 3 0.075 0.2139 0.925
63 3 0.2139 0.925 0.075
64 5 0.8816 0.643 0.1184
65 5 0.643 0.1184 0.8816
66 5 0.8816 0.357 0.8816
67 5 0.357 0.8816 0.8816
68 5 0.1184 0.643 0.8816
69 5 0.643 0.8816 0.1184
70 2 0.5 0.5 0.7174
71 3 0.575 0.7139 0.425
72 3 0.7139 0.425 0.575
73 3 0.575 0.2861 0.575
74 3 0.2861 0.575 0.575
75 3 0.425 0.7139 0.575
76 3 0.7139 0.575 0.425
77 5 0.6184 0.143 0.3816
78 5 0.143 0.3816 0.6184
79 5 0.6184 0.857 0.6184
80 5 0.857 0.6184 0.6184
81 5 0.3816 0.143 0.6184
82 5 0.143 0.6184 0.3816
X-ray density (g/cm cub.) = 4.78
MU (1/cm) = 335.316 Mass attenuation coefficient (cm**2/g) = 70.143
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.36 4
2.3156 5
2.3156 5
2.3156 5
2.3156 5
2 Cu ,Cu 3.36 3
2.2122 6
2.2183 5
2.2183 5
3 Cu ,Cu 3.36 3
2.4295 6
2.4876 5
2.4876 5
4 As ,Sb 3.264 3
2.2523 5
2.2523 5
2.2523 5
5 S 4.368 10
4.0124 6
3.7783 5
3.4077 5
3.7783 5
3.4336 5
3.4336 5
3.7829 5
3.7829 5
3.7829 5
3.7829 5
6 S 4.368 12
4.0124 5
4.0124 5
4.0124 5
4.0124 5
4.0124 5
4.0124 5
4.0124 5
4.0124 5
4.0124 5
4.0124 5
4.0124 5
4.0124 5
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 6.146 12.291 0.069 171.54 12 33.8 211.7
2 2 0 0 8.708 17.416 0.098 84.32 6 20.0 18.1
3 1 1 2 10.686 21.372 0.12 55.27 24 53.1 337.3
4 2 2 0 12.363 24.726 0.139 40.76 12 60.9 163.7
5 3 1 0 13.85 27.7 0.155 32.06 24 19.8 27.3
6 2 2 2 15.202 30.405 0.17 26.28 8 770.0 11228.5
7 3 2 1 16.454 32.907 0.184 22.16 48 49.1 231.1
8 4 0 0 17.626 35.251 0.197 19.08 6 427.7 1885.9
9 1 1 4 18.733 37.466 0.208 16.69 24 78.2 220.5
10 3 3 0 18.733 37.466 0.208 16.69 12 146.5 387.3
11 4 2 0 19.788 39.575 0.22 14.78 24 6.6 1.4
12 3 3 2 20.797 41.594 0.23 13.23 24 54.1 83.6
13 2 2 4 21.768 43.536 0.241 11.94 24 58.7 89.0
14 4 3 1 22.705 45.41 0.251 10.86 48 94.2 417.2
15 5 1 0 22.705 45.41 0.251 10.86 24 77.3 140.5
16 5 2 1 24.495 48.991 0.269 9.14 48 186.6 1377.2
17 4 4 0 25.354 50.709 0.278 8.45 12 809.1 5983.3
18 3 3 4 26.193 52.386 0.287 7.85 24 135.2 310.4
19 5 3 0 26.193 52.386 0.287 7.85 24 7.1 0.9
20 4 4 2 27.013 54.026 0.295 7.32 24 60.0 56.9
21 6 0 0 27.013 54.026 0.295 7.32 6 10.1 0.4
22 1 1 6 27.816 55.633 0.303 6.85 24 178.6 472.0
23 5 3 2 27.816 55.633 0.303 6.85 48 74.9 166.0
24 6 2 0 28.604 57.209 0.311 6.43 24 94.9 125.2
25 5 4 1 29.379 58.758 0.318 6.05 48 21.4 12.0
26 2 2 6 30.141 60.282 0.326 5.71 24 517.0 3301.9
27 6 3 1 30.891 61.783 0.333 5.41 48 31.2 22.7
28 4 4 4 31.632 63.263 0.34 5.13 8 357.7 473.4
29 5 4 3 32.362 64.725 0.347 4.89 48 41.7 36.8
30 5 5 0 32.362 64.725 0.347 4.89 12 113.1 67.5
31 7 1 0 32.362 64.725 0.347 4.89 24 153.1 247.6
32 6 4 0 33.084 66.168 0.354 4.66 24 6.9 0.5
33 3 3 6 33.798 67.596 0.361 4.45 24 86.7 72.3
34 5 5 2 33.798 67.596 0.361 4.45 24 86.5 72.0
35 7 2 1 33.798 67.596 0.361 4.45 48 15.7 4.8
36 6 4 2 34.505 69.01 0.368 4.27 48 42.6 33.4
37 7 3 0 35.205 70.41 0.374 4.1 24 23.0 4.7
38 6 5 1 36.588 73.175 0.387 3.8 48 80.9 107.6
39 7 3 2 36.588 73.175 0.387 3.8 48 36.5 21.9
40 8 0 0 37.271 74.543 0.393 3.67 6 603.8 723.2
41 1 1 8 37.95 75.901 0.399 3.55 24 92.4 65.6
42 5 5 4 37.95 75.901 0.399 3.55 24 96.5 71.5
43 7 4 1 37.95 75.901 0.399 3.55 48 58.0 51.7
44 4 4 6 38.626 77.251 0.405 3.44 24 35.0 9.1
45 8 2 0 38.626 77.251 0.405 3.44 24 48.9 17.8
46 6 5 3 39.297 78.594 0.411 3.35 48 133.6 258.3
47 2 2 8 39.965 79.931 0.417 3.26 24 18.2 2.3
48 6 6 0 39.965 79.931 0.417 3.26 12 110.8 43.3
49 7 4 3 40.631 81.262 0.423 3.18 48 147.7 300.0
50 7 5 0 40.631 81.262 0.423 3.18 24 23.7 3.9
51 8 3 1 40.631 81.262 0.423 3.18 48 90.7 113.0
52 6 6 2 41.294 82.588 0.428 3.11 24 455.8 1395.5
53 7 5 2 41.955 83.911 0.434 3.04 48 55.2 40.1
54 8 4 0 42.615 85.23 0.439 2.98 24 277.6 497.3
55 3 3 8 43.273 86.547 0.445 2.93 24 159.7 161.8
56 9 1 0 43.273 86.547 0.445 2.93 24 85.6 46.5
57 8 4 2 43.931 87.862 0.45 2.89 48 61.3 47.0
58 5 5 6 44.588 89.176 0.456 2.85 24 226.8 316.9
59 7 6 1 44.588 89.176 0.456 2.85 48 102.9 130.5
60 9 2 1 44.588 89.176 0.456 2.85 48 111.8 153.9
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 6.146 12.291 7.19524 211.7 1.9 1.9 5.6
2 1 1 2 10.686 21.372 4.15417 337.3 3.0 3.0 5.6
3 2 2 0 12.363 24.726 3.59762 163.7 1.5 1.5 5.6
4 2 2 2 15.202 30.405 2.93744 11228.5 100.0 100.0 5.6
5 3 2 1 16.454 32.907 2.71954 231.1 2.1 2.1 5.6
6 4 0 0 17.626 35.251 2.5439 1885.9 16.8 16.7 5.7
7 3 3 0 18.733 37.466 2.39841 607.8 5.4 5.4 5.7
8 4 3 1 22.705 45.41 1.9956 557.7 5.0 4.9 5.7
9 5 2 1 24.495 48.991 1.8578 1377.2 12.3 12.0 5.7
10 4 4 0 25.354 50.709 1.79881 5983.3 53.3 52.2 5.8
11 3 3 4 26.193 52.386 1.7451 311.2 2.8 2.7 5.8
12 1 1 6 27.816 55.633 1.6507 638.0 5.7 5.5 5.8
13 6 2 0 28.604 57.209 1.6089 125.2 1.1 1.1 5.8
14 2 2 6 30.141 60.282 1.53403 3301.9 29.4 28.4 5.8
15 4 4 4 31.632 63.263 1.46872 473.4 4.2 4.1 5.9
16 7 1 0 32.362 64.725 1.43905 351.9 3.1 3.0 5.9
17 3 3 6 33.798 67.596 1.38472 149.1 1.3 1.3 5.9
18 6 5 1 36.588 73.175 1.2923 129.5 1.2 1.1 6.0
19 8 0 0 37.271 74.543 1.27195 723.2 6.4 6.1 6.0
20 5 5 4 37.95 75.901 1.25253 188.9 1.7 1.6 6.0
21 6 5 3 39.297 78.594 1.21622 258.3 2.3 2.2 6.0
22 7 4 3 40.631 81.262 1.18289 416.9 3.7 3.5 6.1
23 6 6 2 41.294 82.588 1.16722 1395.5 12.4 11.5 6.1
24 8 4 0 42.615 85.23 1.13767 497.3 4.4 4.1 6.1
25 3 3 8 43.273 86.547 1.12371 208.3 1.9 1.7 6.1
26 5 5 6 44.588 89.176 1.09726 601.3 5.4 4.9 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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