Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
GOLDFIELDITE
3, t-tennantite-tetrahedrite, f-fahlores, s-goldfieldite, DN
Cu(10.2)[Te(2.8)Sb(0.8)As(0.3)Bi(0.1)][S(11.53)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.
0.1As(pos.3) = 0.075As + 0.025Bi. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.338 alpha = 90.0
b = 10.338 beta = 90.0
c = 10.338 gamma = 90.0
Unit cell volume (cub. angs.) = 1104.87
Molar volume ( cub.cm/mol.) = 332.75
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 0.205 0.0 0.0 0.0 Cu = 0.7 , Cu = 0.0
3 0.2683 0.2683 0.2683 0.0 Te = 0.7 , Sb = 0.2 , As = 0.1
4 0.11 0.11 0.356 0.0 S = 0.94, Se = 0.06
5 0.0 0.0 0.0 0.0 S = 0.25, 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 0.205 0.0 0.0
3 3 0.2683 0.2683 0.2683
4 4 0.11 0.11 0.356
5 5 0.0 0.0 0.0
6 1 0.25 0.0 0.5
7 2 0.295 0.5 0.5
8 3 0.2317 0.2317 0.7683
9 4 0.39 0.39 0.856
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 0.795 0.0
15 2 0.795 0.0 0.0
16 2 0.0 0.205 0.0
17 3 0.2683 0.7317 0.7317
18 3 0.7317 0.7317 0.2683
19 3 0.7317 0.2683 0.7317
20 4 0.11 0.89 0.644
21 4 0.89 0.89 0.356
22 4 0.89 0.11 0.644
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 0.705 0.5
27 2 0.705 0.5 0.5
28 2 0.5 0.295 0.5
29 3 0.2317 0.7683 0.2317
30 3 0.7683 0.7683 0.7683
31 3 0.7683 0.2317 0.2317
32 4 0.39 0.61 0.144
33 4 0.61 0.61 0.856
34 4 0.61 0.39 0.144
35 1 0.5 0.0 0.25
36 2 0.0 0.0 0.205
37 4 0.11 0.356 0.11
38 4 0.356 0.11 0.11
39 1 0.0 0.5 0.25
40 2 0.5 0.5 0.295
41 4 0.39 0.856 0.39
42 4 0.856 0.39 0.39
43 1 0.0 0.5 0.75
44 1 0.5 0.0 0.75
45 2 0.0 0.0 0.795
46 4 0.89 0.644 0.11
47 4 0.644 0.11 0.89
48 4 0.89 0.356 0.89
49 4 0.356 0.89 0.89
50 4 0.11 0.644 0.89
51 4 0.644 0.89 0.11
52 2 0.5 0.5 0.705
53 4 0.61 0.144 0.39
54 4 0.144 0.39 0.61
55 4 0.61 0.856 0.61
56 4 0.856 0.61 0.61
57 4 0.39 0.144 0.61
58 4 0.144 0.61 0.39
X-ray density (g/cm cub.) = 4.69
MU (1/cm) = 606.899 Mass attenuation coefficient (cm**2/g) = 129.525
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.492 4
2.3673 4
2.3673 4
2.3673 4
2.3673 4
2 Cu ,Cu 3.492 3
2.1193 5
2.2412 4
2.2412 4
3 Te ,Sb ,As 3.396 3
2.4856 4
2.4856 4
2.4856 4
4 S ,Se 4.632 10
4.0164 5
3.7466 4
3.2164 4
3.7466 4
3.5966 4
3.5966 4
3.924 4
3.924 4
3.924 4
3.924 4
5 S ,S 4.5 12
4.0164 4
4.0164 4
4.0164 4
4.0164 4
4.0164 4
4.0164 4
4.0164 4
4.0164 4
4.0164 4
4.0164 4
4.0164 4
4.0164 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 6.049 12.097 0.068 177.16 12 24.8 106.9
2 2 0 0 8.57 17.14 0.097 87.12 6 148.0 938.3
3 1 1 2 10.516 21.032 0.118 57.13 24 46.2 239.6
4 2 2 0 12.166 24.332 0.137 42.16 12 183.5 1395.4
5 3 1 0 13.628 27.256 0.153 33.18 24 0.8 0.0
6 2 2 2 14.958 29.916 0.168 27.21 8 820.8 12012.9
7 3 2 1 16.188 32.376 0.181 22.95 48 122.6 1355.6
8 4 0 0 17.34 34.68 0.193 19.77 6 458.4 2041.8
9 1 1 4 18.428 36.857 0.205 17.3 24 192.4 1259.3
10 3 3 0 18.428 36.857 0.205 17.3 12 146.7 365.8
11 4 2 0 19.464 38.928 0.216 15.33 24 146.4 646.2
12 3 3 2 20.456 40.911 0.227 13.73 24 125.0 422.0
13 2 2 4 21.409 42.818 0.237 12.4 24 96.8 228.3
14 4 3 1 22.329 44.658 0.247 11.28 48 165.3 1211.6
15 5 1 0 22.329 44.658 0.247 11.28 24 75.7 127.2
16 5 2 1 24.086 48.172 0.265 9.5 48 169.5 1073.9
17 4 4 0 24.929 49.857 0.274 8.79 12 818.4 5784.9
18 3 3 4 25.751 51.502 0.282 8.16 24 175.1 491.7
19 5 3 0 25.751 51.502 0.282 8.16 24 100.0 160.4
20 4 4 2 26.555 53.11 0.29 7.61 24 118.7 210.7
21 6 0 0 26.555 53.11 0.29 7.61 6 33.1 4.1
22 1 1 6 27.342 54.685 0.298 7.12 24 294.4 1213.3
23 5 3 2 27.342 54.685 0.298 7.12 48 79.1 175.4
24 6 2 0 28.115 56.23 0.306 6.68 24 154.0 311.6
25 5 4 1 28.873 57.747 0.313 6.29 48 74.3 136.4
26 2 2 6 29.62 59.239 0.321 5.94 24 547.4 3499.6
27 6 3 1 30.354 60.709 0.328 5.62 48 127.5 359.3
28 4 4 4 31.079 62.158 0.335 5.34 8 328.2 376.9
29 5 4 3 31.794 63.587 0.342 5.08 48 135.2 364.9
30 5 5 0 31.794 63.587 0.342 5.08 12 208.6 217.2
31 7 1 0 31.794 63.587 0.342 5.08 24 133.6 178.2
32 6 4 0 32.5 65.0 0.349 4.84 24 19.1 3.5
33 3 3 6 33.198 66.396 0.355 4.63 24 148.8 201.4
34 5 5 2 33.198 66.396 0.355 4.63 24 50.0 22.7
35 7 2 1 33.198 66.396 0.355 4.63 48 31.8 18.4
36 6 4 2 33.889 67.777 0.362 4.43 48 76.0 100.6
37 7 3 0 34.572 69.145 0.368 4.25 24 7.9 0.5
38 6 5 1 35.922 71.845 0.381 3.94 48 116.6 210.3
39 7 3 2 35.922 71.845 0.381 3.94 48 101.7 160.2
40 8 0 0 36.589 73.179 0.387 3.8 6 592.7 655.9
41 1 1 8 37.252 74.504 0.393 3.67 24 151.1 165.0
42 5 5 4 37.252 74.504 0.393 3.67 24 126.5 115.6
43 7 4 1 37.252 74.504 0.393 3.67 48 123.9 221.6
44 4 4 6 37.91 75.82 0.399 3.56 24 60.7 25.8
45 8 2 0 37.91 75.82 0.399 3.56 24 82.9 48.1
46 6 5 3 38.564 77.128 0.405 3.45 48 247.8 833.8
47 2 2 8 39.215 78.43 0.41 3.36 24 70.6 32.9
48 6 6 0 39.215 78.43 0.41 3.36 12 105.5 36.7
49 7 4 3 39.863 79.726 0.416 3.27 48 117.3 177.1
50 7 5 0 39.863 79.726 0.416 3.27 24 45.5 13.3
51 8 3 1 39.863 79.726 0.416 3.27 48 267.0 917.1
52 6 6 2 40.508 81.017 0.422 3.19 24 415.7 1085.1
53 7 5 2 41.151 82.303 0.427 3.12 48 157.1 302.8
54 8 4 0 41.792 83.585 0.433 3.06 24 247.1 366.9
55 3 3 8 42.432 84.864 0.438 3.0 24 204.4 246.5
56 9 1 0 42.432 84.864 0.438 3.0 24 71.5 30.1
57 8 4 2 43.07 86.14 0.443 2.95 48 109.5 138.9
58 5 5 6 43.707 87.414 0.449 2.9 24 216.5 267.5
59 7 6 1 43.707 87.414 0.449 2.9 48 144.7 239.0
60 9 2 1 43.707 87.414 0.449 2.9 48 35.8 14.6
61 6 6 4 44.344 88.688 0.454 2.86 24 116.9 77.0
62 7 5 4 44.98 89.96 0.459 2.83 48 171.6 327.6
63 8 5 1 44.98 89.96 0.459 2.83 48 196.6 430.1
64 9 3 0 44.98 89.96 0.459 2.83 24 69.4 26.8
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 8.57 17.14 5.169 938.3 7.8 7.9 5.6
2 1 1 2 10.516 21.032 4.22047 239.6 2.0 2.0 5.6
3 2 2 0 12.166 24.332 3.65504 1395.4 11.6 11.7 5.6
4 2 2 2 14.958 29.916 2.98432 12012.9 100.0 100.0 5.6
5 3 2 1 16.188 32.376 2.76295 1355.6 11.3 11.3 5.6
6 4 0 0 17.34 34.68 2.5845 2041.8 17.0 16.9 5.7
7 1 1 4 18.428 36.857 2.43669 1625.0 13.5 13.4 5.7
8 4 2 0 19.464 38.928 2.31165 646.2 5.4 5.3 5.7
9 3 3 2 20.456 40.911 2.20407 422.0 3.5 3.5 5.7
10 2 2 4 21.409 42.818 2.11024 228.3 1.9 1.9 5.7
11 4 3 1 22.329 44.658 2.02745 1338.8 11.1 11.0 5.7
12 5 2 1 24.086 48.172 1.88745 1073.9 8.9 8.8 5.7
13 4 4 0 24.929 49.857 1.82752 5784.9 48.2 47.2 5.7
14 3 3 4 25.751 51.502 1.77295 652.2 5.4 5.3 5.8
15 4 4 2 26.555 53.11 1.723 214.8 1.8 1.7 5.8
16 1 1 6 27.342 54.685 1.67704 1388.6 11.6 11.3 5.8
17 6 2 0 28.115 56.23 1.63458 311.6 2.6 2.5 5.8
18 5 4 1 28.873 57.747 1.59519 136.4 1.1 1.1 5.8
19 2 2 6 29.62 59.239 1.55851 3499.6 29.1 28.2 5.8
20 6 3 1 30.354 60.709 1.52426 359.3 3.0 2.9 5.8
21 4 4 4 31.079 62.158 1.49216 376.9 3.1 3.0 5.8
22 5 4 3 31.794 63.587 1.46201 760.2 6.3 6.1 5.9
23 3 3 6 33.198 66.396 1.40682 242.5 2.0 1.9 5.9
24 6 5 1 35.922 71.845 1.31293 370.5 3.1 2.9 5.9
25 8 0 0 36.589 73.179 1.29225 655.9 5.5 5.2 6.0
26 7 4 1 37.252 74.504 1.27252 502.2 4.2 3.9 6.0
27 6 5 3 38.564 77.128 1.23563 833.8 6.9 6.5 6.0
28 8 3 1 39.863 79.726 1.20177 1107.5 9.2 8.6 6.0
29 6 6 2 40.508 81.017 1.18585 1085.1 9.0 8.4 6.1
30 7 5 2 41.151 82.303 1.17055 302.8 2.5 2.3 6.1
31 8 4 0 41.792 83.585 1.15582 366.9 3.1 2.8 6.1
32 3 3 8 42.432 84.864 1.14164 276.6 2.3 2.1 6.1
33 8 4 2 43.07 86.14 1.12797 138.9 1.2 1.1 6.1
34 5 5 6 43.707 87.414 1.11478 521.2 4.3 4.0 6.2
35 8 5 1 44.98 89.96 1.08972 784.5 6.5 5.9 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)
|