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
6, t-tennantite-tetrahedrite, f-fahlores, s-goldfieldite
Cu(11.5)[Te(2.7)Sb(0.9)As(0.4)][S(11.16)Se(0.84)]
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.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.335 alpha = 90.0
b = 10.335 beta = 90.0
c = 10.335 gamma = 90.0
Unit cell volume (cub. angs.) = 1103.9
Molar volume ( cub.cm/mol.) = 332.46
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 0.196 0.0 0.0 0.0 Cu = 0.92, Cu = 0.0
3 0.263 0.263 0.263 0.0 Te = 0.68, Sb = 0.22, As = 0.1
4 0.118 0.118 0.359 0.0 S = 0.93, Se = 0.07
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.5 0.0
2 2 0.196 0.0 0.0
3 3 0.263 0.263 0.263
4 4 0.118 0.118 0.359
5 1 0.25 0.0 0.5
6 2 0.304 0.5 0.5
7 3 0.237 0.237 0.763
8 4 0.382 0.382 0.859
9 1 0.5 0.75 0.0
10 1 0.75 0.5 0.0
11 1 0.5 0.25 0.0
12 2 0.0 0.804 0.0
13 2 0.804 0.0 0.0
14 2 0.0 0.196 0.0
15 3 0.263 0.737 0.737
16 3 0.737 0.737 0.263
17 3 0.737 0.263 0.737
18 4 0.118 0.882 0.641
19 4 0.882 0.882 0.359
20 4 0.882 0.118 0.641
21 1 0.0 0.75 0.5
22 1 0.75 0.0 0.5
23 1 0.0 0.25 0.5
24 2 0.5 0.696 0.5
25 2 0.696 0.5 0.5
26 2 0.5 0.304 0.5
27 3 0.237 0.763 0.237
28 3 0.763 0.763 0.763
29 3 0.763 0.237 0.237
30 4 0.382 0.618 0.141
31 4 0.618 0.618 0.859
32 4 0.618 0.382 0.141
33 1 0.5 0.0 0.25
34 2 0.0 0.0 0.196
35 4 0.118 0.359 0.118
36 4 0.359 0.118 0.118
37 1 0.0 0.5 0.25
38 2 0.5 0.5 0.304
39 4 0.382 0.859 0.382
40 4 0.859 0.382 0.382
41 1 0.0 0.5 0.75
42 1 0.5 0.0 0.75
43 2 0.0 0.0 0.804
44 4 0.882 0.641 0.118
45 4 0.641 0.118 0.882
46 4 0.882 0.359 0.882
47 4 0.359 0.882 0.882
48 4 0.118 0.641 0.882
49 4 0.641 0.882 0.118
50 2 0.5 0.5 0.696
51 4 0.618 0.141 0.382
52 4 0.141 0.382 0.618
53 4 0.618 0.859 0.618
54 4 0.859 0.618 0.618
55 4 0.382 0.141 0.618
56 4 0.141 0.618 0.382
X-ray density (g/cm cub.) = 4.93
MU (1/cm) = 619.082 Mass attenuation coefficient (cm**2/g) = 125.586
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.492 4
2.3392 4
2.3392 4
2.3392 4
2.3392 4
2 Cu ,Cu 3.492 2
2.4109 4
2.4109 4
3 Te ,Sb ,As 3.396 3
2.3401 4
2.3401 4
2.3401 4
4 S ,Se 4.632 9
3.8004 4
3.4494 4
3.8004 4
3.5224 4
3.5224 4
3.8296 4
3.8296 4
3.8296 4
3.8296 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 6.05 12.101 0.068 177.05 12 6.4 7.2
2 2 0 0 8.573 17.145 0.097 87.07 6 148.2 941.9
3 1 1 2 10.519 21.038 0.119 57.1 24 66.6 498.7
4 2 2 0 12.17 24.339 0.137 42.13 12 185.7 1430.1
5 3 1 0 13.632 27.264 0.153 33.16 24 4.3 1.2
6 2 2 2 14.962 29.925 0.168 27.19 8 873.4 13618.7
7 3 2 1 16.193 32.386 0.181 22.94 48 93.2 784.2
8 4 0 0 17.345 34.69 0.194 19.76 6 482.2 2261.9
9 1 1 4 18.434 36.868 0.205 17.29 24 138.1 649.3
10 3 3 0 18.434 36.868 0.205 17.29 12 203.8 707.5
11 4 2 0 19.47 38.94 0.216 15.32 24 157.5 748.9
12 3 3 2 20.462 40.924 0.227 13.72 24 153.4 636.2
13 2 2 4 21.415 42.831 0.237 12.39 24 78.4 150.2
14 4 3 1 22.336 44.672 0.247 11.27 48 184.0 1502.9
15 5 1 0 22.336 44.672 0.247 11.27 24 120.9 324.4
16 5 2 1 24.093 48.187 0.265 9.5 48 173.3 1123.3
17 4 4 0 24.936 49.873 0.274 8.78 12 866.4 6491.2
18 3 3 4 25.759 51.518 0.282 8.16 24 171.5 472.6
19 5 3 0 25.759 51.518 0.282 8.16 24 57.4 52.9
20 4 4 2 26.563 53.127 0.29 7.6 24 191.5 549.3
21 6 0 0 26.563 53.127 0.29 7.6 6 33.7 4.3
22 1 1 6 27.351 54.702 0.298 7.11 24 279.9 1097.4
23 5 3 2 27.351 54.702 0.298 7.11 48 46.7 61.2
24 6 2 0 28.124 56.247 0.306 6.68 24 210.8 584.6
25 5 4 1 28.883 57.765 0.314 6.29 48 60.1 89.5
26 2 2 6 29.629 59.258 0.321 5.94 24 594.2 4128.0
27 6 3 1 30.364 60.728 0.328 5.62 48 92.4 188.9
28 4 4 4 31.089 62.178 0.335 5.33 8 299.3 313.7
29 5 4 3 31.804 63.608 0.342 5.07 48 109.5 239.8
30 5 5 0 31.804 63.608 0.342 5.07 12 197.2 194.3
31 7 1 0 31.804 63.608 0.342 5.07 24 97.4 94.8
32 6 4 0 32.51 65.021 0.349 4.84 24 20.1 3.8
33 3 3 6 33.209 66.417 0.356 4.62 24 127.6 148.2
34 5 5 2 33.209 66.417 0.356 4.62 24 112.8 115.8
35 7 2 1 33.209 66.417 0.356 4.62 48 23.4 9.9
36 6 4 2 33.9 67.799 0.362 4.43 48 115.4 232.2
37 7 3 0 34.584 69.168 0.368 4.25 24 27.2 6.2
38 6 5 1 35.934 71.869 0.381 3.93 48 158.8 390.7
39 7 3 2 35.934 71.869 0.381 3.93 48 107.3 178.2
40 8 0 0 36.602 73.204 0.387 3.8 6 678.4 860.2
41 1 1 8 37.264 74.529 0.393 3.67 24 157.3 179.0
42 5 5 4 37.264 74.529 0.393 3.67 24 129.6 121.5
43 7 4 1 37.264 74.529 0.393 3.67 48 100.9 147.2
44 4 4 6 37.923 75.846 0.399 3.56 24 54.8 21.0
45 8 2 0 37.923 75.846 0.399 3.56 24 162.9 185.9
46 6 5 3 38.578 77.155 0.405 3.45 48 222.6 674.1
47 2 2 8 39.229 78.458 0.411 3.36 24 55.4 20.3
48 6 6 0 39.229 78.458 0.411 3.36 12 219.6 159.4
49 7 4 3 39.877 79.754 0.416 3.27 48 185.3 442.4
50 7 5 0 39.877 79.754 0.416 3.27 24 4.7 0.1
51 8 3 1 39.877 79.754 0.416 3.27 48 222.8 639.4
52 6 6 2 40.523 81.045 0.422 3.19 24 426.2 1141.9
53 7 5 2 41.166 82.332 0.427 3.12 48 115.2 163.1
54 8 4 0 41.807 83.615 0.433 3.06 24 227.6 311.8
55 3 3 8 42.447 84.894 0.438 3.0 24 287.0 486.6
56 9 1 0 42.447 84.894 0.438 3.0 24 46.0 12.5
57 8 4 2 43.086 86.171 0.443 2.95 48 188.3 411.5
58 5 5 6 43.723 87.446 0.449 2.9 24 264.1 398.6
59 7 6 1 43.723 87.446 0.449 2.9 48 153.1 267.8
60 9 2 1 43.723 87.446 0.449 2.9 48 30.3 10.5
61 6 6 4 44.36 88.72 0.454 2.86 24 180.7 184.1
62 7 5 4 44.997 89.993 0.459 2.83 48 124.3 172.2
63 8 5 1 44.997 89.993 0.459 2.83 48 165.1 303.8
64 9 3 0 44.997 89.993 0.459 2.83 24 75.5 31.8
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 2 0 0 8.573 17.145 5.1675 941.9 6.9 7.0 5.6
2 1 1 2 10.519 21.038 4.21925 498.7 3.7 3.7 5.6
3 2 2 0 12.17 24.339 3.65397 1430.1 10.5 10.5 5.6
4 2 2 2 14.962 29.925 2.98346 13618.7 100.0 100.0 5.6
5 3 2 1 16.193 32.386 2.76215 784.2 5.8 5.7 5.6
6 4 0 0 17.345 34.69 2.58375 2261.9 16.6 16.5 5.7
7 3 3 0 18.434 36.868 2.43598 1356.7 10.0 9.9 5.7
8 4 2 0 19.47 38.94 2.31098 748.9 5.5 5.5 5.7
9 3 3 2 20.462 40.924 2.20343 636.2 4.7 4.6 5.7
10 2 2 4 21.415 42.831 2.10962 150.2 1.1 1.1 5.7
11 4 3 1 22.336 44.672 2.02686 1827.3 13.4 13.2 5.7
12 5 2 1 24.093 48.187 1.8869 1123.3 8.2 8.1 5.7
13 4 4 0 24.936 49.873 1.82699 6491.2 47.7 46.7 5.7
14 3 3 4 25.759 51.518 1.77244 525.4 3.9 3.8 5.8
15 4 4 2 26.563 53.127 1.7225 553.6 4.1 4.0 5.8
16 1 1 6 27.351 54.702 1.67656 1158.6 8.5 8.3 5.8
17 6 2 0 28.124 56.247 1.63411 584.6 4.3 4.2 5.8
18 2 2 6 29.629 59.258 1.55806 4128.0 30.3 29.3 5.8
19 6 3 1 30.364 60.728 1.52381 188.9 1.4 1.3 5.8
20 4 4 4 31.089 62.178 1.49173 313.7 2.3 2.2 5.8
21 5 4 3 31.804 63.608 1.46159 528.9 3.9 3.7 5.9
22 3 3 6 33.209 66.417 1.40642 273.9 2.0 1.9 5.9
23 6 4 2 33.9 67.799 1.38107 232.2 1.7 1.6 5.9
24 6 5 1 35.934 71.869 1.31255 568.9 4.2 4.0 5.9
25 8 0 0 36.602 73.204 1.29188 860.2 6.3 6.0 6.0
26 1 1 8 37.264 74.529 1.27215 447.7 3.3 3.1 6.0
27 8 2 0 37.923 75.846 1.2533 206.9 1.5 1.4 6.0
28 6 5 3 38.578 77.155 1.23527 674.1 4.9 4.6 6.0
29 6 6 0 39.229 78.458 1.21799 179.7 1.3 1.2 6.0
30 8 3 1 39.877 79.754 1.20142 1081.9 7.9 7.4 6.0
31 6 6 2 40.523 81.045 1.18551 1141.9 8.4 7.8 6.1
32 7 5 2 41.166 82.332 1.17021 163.1 1.2 1.1 6.1
33 8 4 0 41.807 83.615 1.15549 311.8 2.3 2.1 6.1
34 3 3 8 42.447 84.894 1.14131 499.1 3.7 3.4 6.1
35 8 4 2 43.086 86.171 1.12764 411.5 3.0 2.8 6.1
36 5 5 6 43.723 87.446 1.11445 677.0 5.0 4.5 6.2
37 6 6 4 44.36 88.72 1.10171 184.1 1.4 1.2 6.2
38 8 5 1 44.997 89.993 1.0894 507.9 3.7 3.4 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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