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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GOLDFIELDITE
4, t-tennantite-tetrahedrite, f-fahlores, s-goldfieldite, DN
Cu(10.002)[Te(2.8)Sb(0.9)As(0.2)Bi(0.1)][S(11.7)Se(0.6)]
Cubic I 4(-)3m Z = 2
I4(-)3m
7 .7 .8
Ref.Str.:
Pohl D., Liessmann W., Okrugin V.M. (1996)
* Neues Jb. Mineral., Mh., 1-8
R: from Ozernoya deposit, Kamchatka, Russia.
0.075As(pos.3) = 0.05As + 0.025Bi. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.341 alpha = 90.0
b = 10.341 beta = 90.0
c = 10.341 gamma = 90.0
Unit cell volume (cub. angs.) = 1105.83
Molar volume ( cub.cm/mol.) = 333.04
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 0.208 0.0 0.0 0.0 Cu = 0.67, Cu = 0.0
3 0.2608 0.2608 0.2608 0.0 Te = 0.7 , Sb = 0.22, As = 0.08
4 0.107 0.107 0.354 0.0 S = 0.95, Se = 0.05
5 0.0 0.0 0.0 0.0 S = 0.3 , S = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.5 0.0
2 2 0.208 0.0 0.0
3 3 0.2608 0.2608 0.2608
4 4 0.107 0.107 0.354
5 5 0.0 0.0 0.0
6 1 0.25 0.0 0.5
7 2 0.292 0.5 0.5
8 3 0.2392 0.2392 0.7608
9 4 0.393 0.393 0.854
10 5 0.5 0.5 0.5
11 1 0.5 0.75 0.0
12 1 0.75 0.5 0.0
13 1 0.5 0.25 0.0
14 2 0.0 0.792 0.0
15 2 0.792 0.0 0.0
16 2 0.0 0.208 0.0
17 3 0.2608 0.7392 0.7392
18 3 0.7392 0.7392 0.2608
19 3 0.7392 0.2608 0.7392
20 4 0.107 0.893 0.646
21 4 0.893 0.893 0.354
22 4 0.893 0.107 0.646
23 1 0.0 0.75 0.5
24 1 0.75 0.0 0.5
25 1 0.0 0.25 0.5
26 2 0.5 0.708 0.5
27 2 0.708 0.5 0.5
28 2 0.5 0.292 0.5
29 3 0.2392 0.7608 0.2392
30 3 0.7608 0.7608 0.7608
31 3 0.7608 0.2392 0.2392
32 4 0.393 0.607 0.146
33 4 0.607 0.607 0.854
34 4 0.607 0.393 0.146
35 1 0.5 0.0 0.25
36 2 0.0 0.0 0.208
37 4 0.107 0.354 0.107
38 4 0.354 0.107 0.107
39 1 0.0 0.5 0.25
40 2 0.5 0.5 0.292
41 4 0.393 0.854 0.393
42 4 0.854 0.393 0.393
43 1 0.0 0.5 0.75
44 1 0.5 0.0 0.75
45 2 0.0 0.0 0.792
46 4 0.893 0.646 0.107
47 4 0.646 0.107 0.893
48 4 0.893 0.354 0.893
49 4 0.354 0.893 0.893
50 4 0.107 0.646 0.893
51 4 0.646 0.893 0.107
52 2 0.5 0.5 0.708
53 4 0.607 0.146 0.393
54 4 0.146 0.393 0.607
55 4 0.607 0.854 0.607
56 4 0.854 0.607 0.607
57 4 0.393 0.146 0.607
58 4 0.146 0.607 0.393
X-ray density (g/cm cub.) = 4.65
MU (1/cm) = 611.224 Mass attenuation coefficient (cm**2/g) = 131.567
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.492 4
2.3855 4
2.3855 4
2.3855 4
2.3855 4
2 Cu ,Cu 3.492 3
2.1509 5
2.1744 4
2.1744 4
3 Te ,Sb ,As 3.396 3
2.447 4
2.447 4
2.447 4
4 S ,Se 4.632 10
3.9811 5
3.7437 4
3.1296 4
3.7437 4
3.6122 4
3.6122 4
3.9692 4
3.9692 4
3.9692 4
3.9692 4
5 S ,S 4.5 12
3.9811 4
3.9811 4
3.9811 4
3.9811 4
3.9811 4
3.9811 4
3.9811 4
3.9811 4
3.9811 4
3.9811 4
3.9811 4
3.9811 4
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 6.047 12.094 0.068 177.26 12 31.4 172.0
2 2 0 0 8.568 17.135 0.097 87.18 6 155.7 1037.1
3 1 1 2 10.513 21.026 0.118 57.17 24 45.6 233.6
4 2 2 0 12.162 24.325 0.137 42.18 12 198.1 1624.4
5 3 1 0 13.624 27.248 0.153 33.2 24 11.7 8.9
6 2 2 2 14.953 29.907 0.167 27.23 8 830.7 12291.9
7 3 2 1 16.183 32.366 0.181 22.97 48 99.3 889.4
8 4 0 0 17.335 34.669 0.193 19.78 6 492.4 2353.7
9 1 1 4 18.423 36.845 0.205 17.31 24 145.5 719.0
10 3 3 0 18.423 36.845 0.205 17.31 12 158.3 425.6
11 4 2 0 19.458 38.917 0.216 15.34 24 176.1 933.6
12 3 3 2 20.449 40.899 0.227 13.74 24 90.2 219.6
13 2 2 4 21.402 42.805 0.237 12.41 24 137.5 460.7
14 4 3 1 22.322 44.645 0.247 11.29 48 137.8 841.1
15 5 1 0 22.322 44.645 0.247 11.29 24 49.9 55.2
16 5 2 1 24.078 48.157 0.265 9.51 48 165.8 1026.0
17 4 4 0 24.921 49.842 0.274 8.79 12 844.5 6154.0
18 3 3 4 25.743 51.486 0.282 8.17 24 151.8 369.5
19 5 3 0 25.743 51.486 0.282 8.17 24 71.5 81.8
20 4 4 2 26.547 53.093 0.29 7.61 24 150.5 338.4
21 6 0 0 26.547 53.093 0.29 7.61 6 97.9 35.8
22 1 1 6 27.334 54.668 0.298 7.12 24 250.9 880.0
23 5 3 2 27.334 54.668 0.298 7.12 48 54.9 84.4
24 6 2 0 28.106 56.212 0.306 6.69 24 194.9 498.6
25 5 4 1 28.864 57.729 0.313 6.3 48 44.7 49.4
26 2 2 6 29.61 59.22 0.321 5.95 24 589.6 4056.7
27 6 3 1 30.345 60.69 0.328 5.63 48 76.2 128.3
28 4 4 4 31.069 62.138 0.335 5.34 8 401.2 562.5
29 5 4 3 31.783 63.567 0.342 5.08 48 105.2 220.9
30 5 5 0 31.783 63.567 0.342 5.08 12 163.7 133.7
31 7 1 0 31.783 63.567 0.342 5.08 24 124.9 155.6
32 6 4 0 32.489 64.978 0.349 4.84 24 30.8 9.0
33 3 3 6 33.187 66.374 0.355 4.63 24 105.5 101.1
34 5 5 2 33.187 66.374 0.355 4.63 24 88.4 71.0
35 7 2 1 33.187 66.374 0.355 4.63 48 24.3 10.8
36 6 4 2 33.877 67.755 0.362 4.43 48 121.3 256.0
37 7 3 0 34.561 69.122 0.368 4.25 24 51.6 22.3
38 6 5 1 35.91 71.821 0.381 3.94 48 86.6 116.1
39 7 3 2 35.91 71.821 0.381 3.94 48 64.8 65.0
40 8 0 0 36.577 73.154 0.387 3.8 6 635.4 753.0
41 1 1 8 37.239 74.478 0.393 3.68 24 99.2 70.9
42 5 5 4 37.239 74.478 0.393 3.68 24 80.6 46.8
43 7 4 1 37.239 74.478 0.393 3.68 48 108.4 169.6
44 4 4 6 37.897 75.794 0.399 3.56 24 108.6 82.5
45 8 2 0 37.897 75.794 0.399 3.56 24 138.5 134.1
46 6 5 3 38.551 77.102 0.405 3.46 48 213.1 616.1
47 2 2 8 39.202 78.403 0.41 3.36 24 52.0 17.9
48 6 6 0 39.202 78.403 0.41 3.36 12 147.4 71.6
49 7 4 3 39.849 79.698 0.416 3.27 48 129.1 214.1
50 7 5 0 39.849 79.698 0.416 3.27 24 12.6 1.0
51 8 3 1 39.849 79.698 0.416 3.27 48 220.9 627.2
52 6 6 2 40.494 80.988 0.422 3.19 24 477.6 1430.3
53 7 5 2 41.137 82.274 0.427 3.12 48 113.4 157.6
54 8 4 0 41.778 83.555 0.432 3.06 24 344.8 713.9
55 3 3 8 42.417 84.833 0.438 3.0 24 174.9 180.2
56 9 1 0 42.417 84.833 0.438 3.0 24 66.6 26.1
57 8 4 2 43.054 86.109 0.443 2.95 48 160.7 299.0
58 5 5 6 43.691 87.383 0.448 2.9 24 217.2 268.9
59 7 6 1 43.691 87.383 0.448 2.9 48 117.7 157.8
60 9 2 1 43.691 87.383 0.448 2.9 48 51.4 30.1
61 6 6 4 44.328 88.655 0.454 2.86 24 172.5 167.4
62 7 5 4 44.963 89.927 0.459 2.83 48 130.7 189.8
63 8 5 1 44.963 89.927 0.459 2.83 48 158.0 277.4
64 9 3 0 44.963 89.927 0.459 2.83 24 23.6 3.1
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 6.047 12.094 7.31219 172.0 1.4 1.4 5.6
2 2 0 0 8.568 17.135 5.1705 1037.1 8.4 8.5 5.6
3 1 1 2 10.513 21.026 4.2217 233.6 1.9 1.9 5.6
4 2 2 0 12.162 24.325 3.6561 1624.4 13.2 13.3 5.6
5 2 2 2 14.953 29.907 2.98519 12291.9 100.0 100.0 5.6
6 3 2 1 16.183 32.366 2.76375 889.4 7.2 7.2 5.6
7 4 0 0 17.335 34.669 2.58525 2353.7 19.1 19.1 5.7
8 1 1 4 18.423 36.845 2.4374 1144.6 9.3 9.3 5.7
9 4 2 0 19.458 38.917 2.31232 933.6 7.6 7.5 5.7
10 3 3 2 20.449 40.899 2.20471 219.6 1.8 1.8 5.7
11 2 2 4 21.402 42.805 2.11085 460.7 3.7 3.7 5.7
12 4 3 1 22.322 44.645 2.02804 896.3 7.3 7.2 5.7
13 5 2 1 24.078 48.157 1.888 1026.0 8.3 8.2 5.7
14 4 4 0 24.921 49.842 1.82805 6154.0 50.1 49.1 5.7
15 3 3 4 25.743 51.486 1.77347 451.3 3.7 3.6 5.8
16 4 4 2 26.547 53.093 1.7235 374.2 3.0 3.0 5.8
17 1 1 6 27.334 54.668 1.67753 964.4 7.8 7.6 5.8
18 6 2 0 28.106 56.212 1.63506 498.6 4.1 3.9 5.8
19 2 2 6 29.61 59.22 1.55896 4056.7 33.0 32.0 5.8
20 6 3 1 30.345 60.69 1.5247 128.3 1.0 1.0 5.8
21 4 4 4 31.069 62.138 1.49259 562.5 4.6 4.4 5.8
22 5 4 3 31.783 63.567 1.46244 510.2 4.2 4.0 5.9
23 3 3 6 33.187 66.374 1.40723 182.9 1.5 1.4 5.9
24 6 4 2 33.877 67.755 1.38187 256.0 2.1 2.0 5.9
25 6 5 1 35.91 71.821 1.31331 181.0 1.5 1.4 5.9
26 8 0 0 36.577 73.154 1.29262 753.0 6.1 5.8 6.0
27 7 4 1 37.239 74.478 1.27289 287.4 2.3 2.2 6.0
28 8 2 0 37.897 75.794 1.25403 216.6 1.8 1.7 6.0
29 6 5 3 38.551 77.102 1.23599 616.1 5.0 4.7 6.0
30 8 3 1 39.849 79.698 1.20212 842.3 6.9 6.4 6.0
31 6 6 2 40.494 80.988 1.18619 1430.3 11.6 10.8 6.1
32 7 5 2 41.137 82.274 1.17089 157.6 1.3 1.2 6.1
33 8 4 0 41.778 83.555 1.15616 713.9 5.8 5.4 6.1
34 3 3 8 42.417 84.833 1.14197 206.3 1.7 1.5 6.1
35 8 4 2 43.054 86.109 1.1283 299.0 2.4 2.2 6.1
36 5 5 6 43.691 87.383 1.1151 456.9 3.7 3.4 6.2
37 6 6 4 44.328 88.655 1.10235 167.4 1.4 1.2 6.2
38 8 5 1 44.963 89.927 1.09004 470.3 3.8 3.5 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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