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
5, t-tennantite-tetrahedrite, f-fahlores, s-goldfieldite, DN
Cu(10.302)[Te(2.6)Sb(0.7)As(0.5)Bi(0.2)][S(11.85)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.
0.175As(pos.3) = 0.125As + 0.05Bi. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.334 alpha = 90.0
b = 10.334 beta = 90.0
c = 10.334 gamma = 90.0
Unit cell volume (cub. angs.) = 1103.58
Molar volume ( cub.cm/mol.) = 332.36
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 = 0.82, Cu = 0.0
2 0.214 0.0 0.0 0.0 Cu = 0.9 , Cu = 0.0
3 0.2636 0.2636 0.2636 0.0 Te = 0.65, Sb = 0.17, As = 0.17
4 0.114 0.114 0.36 0.0 S = 0.95, Se = 0.05
5 0.0 0.0 0.0 0.0 S = 0.45, 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 0.214 0.0 0.0
3 3 0.2636 0.2636 0.2636
4 4 0.114 0.114 0.36
5 5 0.0 0.0 0.0
6 1 0.25 0.0 0.5
7 2 0.286 0.5 0.5
8 3 0.2364 0.2364 0.7636
9 4 0.386 0.386 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 0.786 0.0
15 2 0.786 0.0 0.0
16 2 0.0 0.214 0.0
17 3 0.2636 0.7364 0.7364
18 3 0.7364 0.7364 0.2636
19 3 0.7364 0.2636 0.7364
20 4 0.114 0.886 0.64
21 4 0.886 0.886 0.36
22 4 0.886 0.114 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 0.714 0.5
27 2 0.714 0.5 0.5
28 2 0.5 0.286 0.5
29 3 0.2364 0.7636 0.2364
30 3 0.7636 0.7636 0.7636
31 3 0.7636 0.2364 0.2364
32 4 0.386 0.614 0.14
33 4 0.614 0.614 0.86
34 4 0.614 0.386 0.14
35 1 0.5 0.0 0.25
36 2 0.0 0.0 0.214
37 4 0.114 0.36 0.114
38 4 0.36 0.114 0.114
39 1 0.0 0.5 0.25
40 2 0.5 0.5 0.286
41 4 0.386 0.86 0.386
42 4 0.86 0.386 0.386
43 1 0.0 0.5 0.75
44 1 0.5 0.0 0.75
45 2 0.0 0.0 0.786
46 4 0.886 0.64 0.114
47 4 0.64 0.114 0.886
48 4 0.886 0.36 0.886
49 4 0.36 0.886 0.886
50 4 0.114 0.64 0.886
51 4 0.64 0.886 0.114
52 2 0.5 0.5 0.714
53 4 0.614 0.14 0.386
54 4 0.14 0.386 0.614
55 4 0.614 0.86 0.614
56 4 0.86 0.614 0.614
57 4 0.386 0.14 0.614
58 4 0.14 0.614 0.386
X-ray density (g/cm cub.) = 4.67
MU (1/cm) = 582.88 Mass attenuation coefficient (cm**2/g) = 124.891
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu ,Cu 3.492 4
2.3358 4
2.3358 4
2.3358 4
2.3358 4
2 Cu ,Cu 3.492 3
2.2115 5
2.2477 4
2.2477 4
3 Te ,Sb ,As 3.396 3
2.4026 4
2.4026 4
2.4026 4
4 S ,Se 4.632 10
4.0763 5
3.7315 4
3.3321 4
3.7315 4
3.5952 4
3.5952 4
3.8552 4
3.8552 4
3.8552 4
3.8552 4
5 S ,S 4.5 12
4.0763 4
4.0763 4
4.0763 4
4.0763 4
4.0763 4
4.0763 4
4.0763 4
4.0763 4
4.0763 4
4.0763 4
4.0763 4
4.0763 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 6.051 12.102 0.068 177.02 12 16.7 48.9
2 2 0 0 8.573 17.147 0.097 87.05 6 142.3 868.2
3 1 1 2 10.52 21.04 0.119 57.09 24 25.3 71.8
4 2 2 0 12.171 24.342 0.137 42.12 12 183.9 1403.0
5 3 1 0 13.634 27.267 0.153 33.15 24 42.0 115.3
6 2 2 2 14.964 29.928 0.168 27.19 8 826.7 12205.4
7 3 2 1 16.194 32.389 0.181 22.93 48 93.9 797.4
8 4 0 0 17.347 34.693 0.194 19.75 6 471.7 2165.0
9 1 1 4 18.436 36.871 0.205 17.29 24 156.8 837.2
10 3 3 0 18.436 36.871 0.205 17.29 12 130.9 291.9
11 4 2 0 19.472 38.944 0.216 15.32 24 141.5 604.3
12 3 3 2 20.464 40.928 0.227 13.72 24 133.4 480.9
13 2 2 4 21.418 42.835 0.237 12.39 24 110.1 296.1
14 4 3 1 22.338 44.676 0.247 11.27 48 116.0 598.0
15 5 1 0 22.338 44.676 0.247 11.27 24 128.5 366.6
16 5 2 1 24.096 48.192 0.265 9.49 48 148.0 819.0
17 4 4 0 24.939 49.878 0.274 8.78 12 867.0 6501.8
18 3 3 4 25.762 51.523 0.282 8.15 24 131.4 277.6
19 5 3 0 25.762 51.523 0.282 8.15 24 30.2 14.6
20 4 4 2 26.566 53.132 0.29 7.6 24 126.3 239.1
21 6 0 0 26.566 53.132 0.29 7.6 6 42.7 6.8
22 1 1 6 27.354 54.708 0.298 7.11 24 229.8 740.1
23 5 3 2 27.354 54.708 0.298 7.11 48 41.2 47.6
24 6 2 0 28.127 56.253 0.306 6.68 24 165.8 361.8
25 5 4 1 28.886 57.771 0.314 6.29 48 84.6 177.4
26 2 2 6 29.632 59.265 0.321 5.94 24 589.9 4069.9
27 6 3 1 30.367 60.735 0.328 5.62 48 89.8 178.7
28 4 4 4 31.092 62.184 0.335 5.33 8 352.9 436.3
29 5 4 3 31.807 63.615 0.342 5.07 48 105.9 224.0
30 5 5 0 31.807 63.615 0.342 5.07 12 206.3 212.7
31 7 1 0 31.807 63.615 0.342 5.07 24 106.7 113.9
32 6 4 0 32.514 65.028 0.349 4.84 24 13.6 1.8
33 3 3 6 33.212 66.425 0.356 4.62 24 123.7 139.4
34 5 5 2 33.212 66.425 0.356 4.62 24 77.5 54.7
35 7 2 1 33.212 66.425 0.356 4.62 48 51.1 47.6
36 6 4 2 33.903 67.807 0.362 4.42 48 102.0 181.4
37 7 3 0 34.588 69.175 0.368 4.25 24 17.0 2.4
38 6 5 1 35.938 71.877 0.381 3.93 48 95.2 140.4
39 7 3 2 35.938 71.877 0.381 3.93 48 126.2 247.0
40 8 0 0 36.606 73.212 0.387 3.8 6 663.8 824.0
41 1 1 8 37.269 74.537 0.393 3.67 24 109.7 87.1
42 5 5 4 37.269 74.537 0.393 3.67 24 155.7 175.3
43 7 4 1 37.269 74.537 0.393 3.67 48 99.6 143.5
44 4 4 6 37.927 75.854 0.399 3.56 24 63.6 28.3
45 8 2 0 37.927 75.854 0.399 3.56 24 114.2 91.4
46 6 5 3 38.582 77.164 0.405 3.45 48 197.6 531.1
47 2 2 8 39.233 78.467 0.411 3.36 24 31.8 6.7
48 6 6 0 39.233 78.467 0.411 3.36 12 139.8 64.6
49 7 4 3 39.882 79.763 0.416 3.27 48 131.6 223.3
50 7 5 0 39.882 79.763 0.416 3.27 24 4.1 0.1
51 8 3 1 39.882 79.763 0.416 3.27 48 206.2 548.0
52 6 6 2 40.527 81.055 0.422 3.19 24 457.0 1313.1
53 7 5 2 41.171 82.342 0.427 3.12 48 93.0 106.3
54 8 4 0 41.812 83.625 0.433 3.06 24 268.8 435.1
55 3 3 8 42.452 84.904 0.438 3.0 24 184.3 200.7
56 9 1 0 42.452 84.904 0.438 3.0 24 106.1 66.5
57 8 4 2 43.091 86.181 0.443 2.95 48 130.9 199.1
58 5 5 6 43.728 87.457 0.449 2.9 24 213.5 260.5
59 7 6 1 43.728 87.457 0.449 2.9 48 110.9 140.5
60 9 2 1 43.728 87.457 0.449 2.9 48 51.9 30.8
61 6 6 4 44.365 88.731 0.454 2.86 24 134.7 102.3
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 17.147 5.167 868.2 7.1 7.2 5.6
2 2 2 0 12.171 24.342 3.65362 1403.0 11.5 11.5 5.6
3 2 2 2 14.964 29.928 2.98317 12205.4 100.0 100.0 5.6
4 3 2 1 16.194 32.389 2.76188 797.4 6.5 6.5 5.6
5 4 0 0 17.347 34.693 2.5835 2165.0 17.7 17.7 5.7
6 1 1 4 18.436 36.871 2.43575 1129.1 9.3 9.2 5.7
7 4 2 0 19.472 38.944 2.31075 604.3 5.0 4.9 5.7
8 3 3 2 20.464 40.928 2.20322 480.9 3.9 3.9 5.7
9 2 2 4 21.418 42.835 2.10942 296.1 2.4 2.4 5.7
10 4 3 1 22.338 44.676 2.02666 964.6 7.9 7.8 5.7
11 5 2 1 24.096 48.192 1.88672 819.0 6.7 6.6 5.7
12 4 4 0 24.939 49.878 1.82681 6501.8 53.3 52.2 5.7
13 3 3 4 25.762 51.523 1.77227 292.2 2.4 2.3 5.8
14 4 4 2 26.566 53.132 1.72233 245.9 2.0 2.0 5.8
15 1 1 6 27.354 54.708 1.6764 787.6 6.5 6.3 5.8
16 6 2 0 28.127 56.253 1.63395 361.8 3.0 2.9 5.8
17 5 4 1 28.886 57.771 1.59457 177.4 1.5 1.4 5.8
18 2 2 6 29.632 59.265 1.55791 4069.9 33.3 32.3 5.8
19 6 3 1 30.367 60.735 1.52367 178.7 1.5 1.4 5.8
20 4 4 4 31.092 62.184 1.49158 436.3 3.6 3.4 5.8
21 5 4 3 31.807 63.615 1.46145 550.6 4.5 4.3 5.9
22 3 3 6 33.212 66.425 1.40628 241.6 2.0 1.9 5.9
23 6 4 2 33.903 67.807 1.38094 181.4 1.5 1.4 5.9
24 7 3 2 35.938 71.877 1.31242 387.3 3.2 3.0 5.9
25 8 0 0 36.606 73.212 1.29175 824.0 6.8 6.4 6.0
26 7 4 1 37.269 74.537 1.27203 405.9 3.3 3.1 6.0
27 6 5 3 38.582 77.164 1.23515 531.1 4.4 4.1 6.0
28 8 3 1 39.882 79.763 1.2013 771.4 6.3 5.9 6.0
29 6 6 2 40.527 81.055 1.18539 1313.1 10.8 10.0 6.1
30 8 4 0 41.812 83.625 1.15538 435.1 3.6 3.3 6.1
31 3 3 8 42.452 84.904 1.1412 267.3 2.2 2.0 6.1
32 8 4 2 43.091 86.181 1.12753 199.1 1.6 1.5 6.1
33 5 5 6 43.728 87.457 1.11434 431.8 3.5 3.2 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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