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
2, t-tennantite-tetrahedrite, f-fahlores, s-goldfieldite, DN
Cu(10.98)[Te(2.5)SbAs(0.5)][S(11.98)Se(0.72)]
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 = 10.321 alpha = 90.0
b = 10.321 beta = 90.0
c = 10.321 gamma = 90.0
Unit cell volume (cub. angs.) = 1099.42
Molar volume ( cub.cm/mol.) = 331.11
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 = 0.85, Cu = 0.0
2 0.209 0.0 0.0 0.0 Cu = 0.98, Cu = 0.0
3 0.2628 0.2628 0.2628 0.0 Te = 0.62, Sb = 0.25, As = 0.12
4 0.12 0.12 0.36 0.0 S = 0.94, Se = 0.06
5 0.0 0.0 0.0 0.0 S = 0.7 , 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 0.209 0.0 0.0
3 3 0.2628 0.2628 0.2628
4 4 0.12 0.12 0.36
5 5 0.0 0.0 0.0
6 1 0.25 0.0 0.5
7 2 0.291 0.5 0.5
8 3 0.2372 0.2372 0.7628
9 4 0.38 0.38 0.86
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 0.791 0.0
15 2 0.791 0.0 0.0
16 2 0.0 0.209 0.0
17 3 0.2628 0.7372 0.7372
18 3 0.7372 0.7372 0.2628
19 3 0.7372 0.2628 0.7372
20 4 0.12 0.88 0.64
21 4 0.88 0.88 0.36
22 4 0.88 0.12 0.64
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 0.709 0.5
27 2 0.709 0.5 0.5
28 2 0.5 0.291 0.5
29 3 0.2372 0.7628 0.2372
30 3 0.7628 0.7628 0.7628
31 3 0.7628 0.2372 0.2372
32 4 0.38 0.62 0.14
33 4 0.62 0.62 0.86
34 4 0.62 0.38 0.14
35 1 0.5 0.0 0.25
36 2 0.0 0.0 0.209
37 4 0.12 0.36 0.12
38 4 0.36 0.12 0.12
39 1 0.0 0.5 0.25
40 2 0.5 0.5 0.291
41 4 0.38 0.86 0.38
42 4 0.86 0.38 0.38
43 1 0.0 0.5 0.75
44 1 0.5 0.0 0.75
45 2 0.0 0.0 0.791
46 4 0.88 0.64 0.12
47 4 0.64 0.12 0.88
48 4 0.88 0.36 0.88
49 4 0.36 0.88 0.88
50 4 0.12 0.64 0.88
51 4 0.64 0.88 0.12
52 2 0.5 0.5 0.709
53 4 0.62 0.14 0.38
54 4 0.14 0.38 0.62
55 4 0.62 0.86 0.62
56 4 0.86 0.62 0.62
57 4 0.38 0.14 0.62
58 4 0.14 0.62 0.38
X-ray density (g/cm cub.) = 4.89
MU (1/cm) = 611.028 Mass attenuation coefficient (cm**2/g) = 125.056
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu ,Cu 3.492 4
2.3285 4
2.3285 4
2.3285 4
2.3285 4
2 Cu ,Cu 3.492 3
2.1571 5
2.3445 4
2.3445 4
3 Te ,Sb ,As 3.396 3
2.3132 4
2.3132 4
2.3132 4
4 S ,Se 4.632 10
4.1077 5
3.8062 4
3.5031 4
3.8062 4
3.5031 4
3.5031 4
3.8006 4
3.8006 4
3.8006 4
3.8006 4
5 S ,S 4.5 12
4.1077 4
4.1077 4
4.1077 4
4.1077 4
4.1077 4
4.1077 4
4.1077 4
4.1077 4
4.1077 4
4.1077 4
4.1077 4
4.1077 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 6.059 12.117 0.069 176.56 12 38.4 259.1
2 2 0 0 8.584 17.169 0.097 86.83 6 145.2 908.3
3 1 1 2 10.534 21.067 0.119 56.94 24 50.5 288.0
4 2 2 0 12.186 24.373 0.137 42.01 12 195.3 1590.4
5 3 1 0 13.651 27.302 0.153 33.06 24 45.8 137.4
6 2 2 2 14.983 29.966 0.168 27.11 8 851.2 13000.1
7 3 2 1 16.215 32.431 0.181 22.87 48 91.5 760.7
8 4 0 0 17.369 34.739 0.194 19.7 6 496.1 2405.9
9 1 1 4 18.46 36.919 0.206 17.24 24 147.2 741.4
10 3 3 0 18.46 36.919 0.206 17.24 12 150.8 388.9
11 4 2 0 19.498 38.995 0.217 15.27 24 128.3 499.5
12 3 3 2 20.491 40.982 0.227 13.68 24 143.9 562.5
13 2 2 4 21.446 42.892 0.237 12.35 24 106.8 279.5
14 4 3 1 22.368 44.736 0.247 11.23 48 129.9 752.9
15 5 1 0 22.368 44.736 0.247 11.23 24 155.2 537.5
16 5 2 1 24.128 48.256 0.265 9.46 48 159.8 959.7
17 4 4 0 24.973 49.945 0.274 8.75 12 899.5 7030.7
18 3 3 4 25.797 51.593 0.282 8.13 24 122.9 243.9
19 5 3 0 25.797 51.593 0.282 8.13 24 11.7 2.2
20 4 4 2 26.602 53.204 0.291 7.58 24 151.1 343.7
21 6 0 0 26.602 53.204 0.291 7.58 6 19.7 1.5
22 1 1 6 27.391 54.783 0.299 7.09 24 239.1 804.7
23 5 3 2 27.391 54.783 0.299 7.09 48 47.5 63.5
24 6 2 0 28.165 56.33 0.306 6.66 24 190.4 478.9
25 5 4 1 28.926 57.851 0.314 6.27 48 93.3 216.5
26 2 2 6 29.673 59.347 0.321 5.92 24 602.6 4266.7
27 6 3 1 30.41 60.82 0.329 5.6 48 82.1 149.9
28 4 4 4 31.136 62.272 0.336 5.32 8 346.3 421.9
29 5 4 3 31.852 63.704 0.343 5.06 48 95.7 184.0
30 5 5 0 31.852 63.704 0.343 5.06 12 223.5 250.7
31 7 1 0 31.852 63.704 0.343 5.06 24 95.6 91.7
32 6 4 0 32.56 65.12 0.349 4.82 24 31.4 9.4
33 3 3 6 33.26 66.519 0.356 4.61 24 127.2 147.9
34 5 5 2 33.26 66.519 0.356 4.61 24 111.9 114.6
35 7 2 1 33.26 66.519 0.356 4.61 48 48.1 42.4
36 6 4 2 33.952 67.904 0.363 4.41 48 119.2 248.9
37 7 3 0 34.638 69.275 0.369 4.23 24 16.0 2.2
38 6 5 1 35.991 71.982 0.381 3.92 48 132.9 275.1
39 7 3 2 35.991 71.982 0.381 3.92 48 134.6 282.0
40 8 0 0 36.66 73.319 0.388 3.79 6 697.4 913.9
41 1 1 8 37.324 74.647 0.394 3.66 24 130.4 123.5
42 5 5 4 37.324 74.647 0.394 3.66 24 173.0 217.6
43 7 4 1 37.324 74.647 0.394 3.66 48 89.0 115.2
44 4 4 6 37.983 75.967 0.399 3.55 24 33.4 7.8
45 8 2 0 37.983 75.967 0.399 3.55 24 142.2 142.4
46 6 5 3 38.64 77.279 0.405 3.44 48 198.8 540.6
47 2 2 8 39.292 78.584 0.411 3.35 24 28.6 5.4
48 6 6 0 39.292 78.584 0.411 3.35 12 187.6 117.0
49 7 4 3 39.942 79.884 0.417 3.26 48 161.3 337.1
50 7 5 0 39.942 79.884 0.417 3.26 24 9.1 0.5
51 8 3 1 39.942 79.884 0.417 3.26 48 188.2 458.8
52 6 6 2 40.589 81.178 0.422 3.18 24 452.1 1291.9
53 7 5 2 41.234 82.468 0.428 3.11 48 86.1 91.7
54 8 4 0 41.877 83.754 0.433 3.05 24 253.3 388.4
55 3 3 8 42.518 85.036 0.439 2.99 24 233.7 324.4
56 9 1 0 42.518 85.036 0.439 2.99 24 107.5 68.7
57 8 4 2 43.158 86.317 0.444 2.94 48 148.0 255.9
58 5 5 6 43.797 87.595 0.449 2.9 24 240.2 332.0
59 7 6 1 43.797 87.595 0.449 2.9 48 115.6 153.7
60 9 2 1 43.797 87.595 0.449 2.9 48 59.1 40.2
61 6 6 4 44.436 88.872 0.454 2.86 24 159.9 145.0
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 6.059 12.117 7.29805 259.1 2.0 2.0 5.6
2 2 0 0 8.584 17.169 5.1605 908.3 7.0 7.1 5.6
3 1 1 2 10.534 21.067 4.21353 288.0 2.2 2.2 5.6
4 2 2 0 12.186 24.373 3.64902 1590.4 12.2 12.3 5.6
5 3 1 0 13.651 27.302 3.26379 137.4 1.1 1.1 5.6
6 2 2 2 14.983 29.966 2.97942 13000.1 100.0 100.0 5.6
7 3 2 1 16.215 32.431 2.7584 760.7 5.9 5.8 5.6
8 4 0 0 17.369 34.739 2.58025 2405.9 18.5 18.4 5.7
9 1 1 4 18.46 36.919 2.43268 1130.3 8.7 8.6 5.7
10 4 2 0 19.498 38.995 2.30785 499.5 3.8 3.8 5.7
11 3 3 2 20.491 40.982 2.20044 562.5 4.3 4.3 5.7
12 2 2 4 21.446 42.892 2.10677 279.5 2.1 2.1 5.7
13 4 3 1 22.368 44.736 2.02411 1290.5 9.9 9.8 5.7
14 5 2 1 24.128 48.256 1.88435 959.7 7.4 7.3 5.7
15 4 4 0 24.973 49.945 1.82451 7030.7 54.1 53.0 5.7
16 3 3 4 25.797 51.593 1.77004 246.1 1.9 1.9 5.8
17 4 4 2 26.602 53.204 1.72017 345.1 2.7 2.6 5.8
18 1 1 6 27.391 54.783 1.67429 868.2 6.7 6.5 5.8
19 6 2 0 28.165 56.33 1.63189 478.9 3.7 3.6 5.8
20 5 4 1 28.926 57.851 1.59256 216.5 1.7 1.6 5.8
21 2 2 6 29.673 59.347 1.55595 4266.7 32.8 31.8 5.8
22 6 3 1 30.41 60.82 1.52175 149.9 1.2 1.1 5.8
23 4 4 4 31.136 62.272 1.48971 421.9 3.2 3.1 5.8
24 5 5 0 31.852 63.704 1.45961 526.4 4.0 3.9 5.9
25 3 3 6 33.26 66.519 1.40451 305.0 2.3 2.2 5.9
26 6 4 2 33.952 67.904 1.3792 248.9 1.9 1.8 5.9
27 7 3 2 35.991 71.982 1.31077 557.2 4.3 4.1 5.9
28 8 0 0 36.66 73.319 1.29013 913.9 7.0 6.6 6.0
29 5 5 4 37.324 74.647 1.27043 456.3 3.5 3.3 6.0
30 8 2 0 37.983 75.967 1.25161 150.2 1.2 1.1 6.0
31 6 5 3 38.64 77.279 1.2336 540.6 4.2 3.9 6.0
32 8 3 1 39.942 79.884 1.19979 796.4 6.1 5.7 6.0
33 6 6 2 40.589 81.178 1.1839 1291.9 9.9 9.2 6.1
34 8 4 0 41.877 83.754 1.15392 388.4 3.0 2.8 6.1
35 3 3 8 42.518 85.036 1.13976 393.2 3.0 2.8 6.1
36 8 4 2 43.158 86.317 1.12611 255.9 2.0 1.8 6.1
37 5 5 6 43.797 87.595 1.11294 526.0 4.0 3.7 6.2
38 6 6 4 44.436 88.872 1.10022 145.0 1.1 1.0 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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