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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FREIBERGITE
1, t-tennantite-tetrahedrite, f-fahlores, sf-proper-fahlores, s-fahlores
(Cu,Fe,Zn,Ag)(12)Sb(4)S(13)
Cubic I 4(-)3m Z = 2
R =0.053
10 .4 .1990
Ref.Str.:
Peterson R. C., Miller I. (1986)
* Mineral. Mag., 50, 717-721
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.61 alpha = 90.0
b = 10.61 beta = 90.0
c = 10.61 gamma = 90.0
Unit cell volume (cub. angs.) = 1194.39
Molar volume ( cub.cm/mol.) = 359.71
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 0.2167 0.0 0.0 0.0 Cu = 1.00
3 0.2685 0.2685 0.2685 0.0 Sb = 1.00
4 0.1213 0.1213 0.3683 0.0 S = 1.00
5 0.0 0.0 0.0 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.5 0.0
2 2 0.2167 0.0 0.0
3 3 0.2685 0.2685 0.2685
4 4 0.1213 0.1213 0.3683
5 5 0.0 0.0 0.0
6 1 0.25 0.0 0.5
7 2 0.2833 0.5 0.5
8 3 0.2315 0.2315 0.7685
9 4 0.3787 0.3787 0.8683
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 0.7833 0.0
15 2 0.7833 0.0 0.0
16 2 0.0 0.2167 0.0
17 3 0.2685 0.7315 0.7315
18 3 0.7315 0.7315 0.2685
19 3 0.7315 0.2685 0.7315
20 4 0.1213 0.8787 0.6317
21 4 0.8787 0.8787 0.3683
22 4 0.8787 0.1213 0.6317
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 0.7167 0.5
27 2 0.7167 0.5 0.5
28 2 0.5 0.2833 0.5
29 3 0.2315 0.7685 0.2315
30 3 0.7685 0.7685 0.7685
31 3 0.7685 0.2315 0.2315
32 4 0.3787 0.6213 0.1317
33 4 0.6213 0.6213 0.8683
34 4 0.6213 0.3787 0.1317
35 1 0.5 0.0 0.25
36 2 0.0 0.0 0.2167
37 4 0.1213 0.3683 0.1213
38 4 0.3683 0.1213 0.1213
39 1 0.0 0.5 0.25
40 2 0.5 0.5 0.2833
41 4 0.3787 0.8683 0.3787
42 4 0.8683 0.3787 0.3787
43 1 0.0 0.5 0.75
44 1 0.5 0.0 0.75
45 2 0.0 0.0 0.7833
46 4 0.8787 0.6317 0.1213
47 4 0.6317 0.1213 0.8787
48 4 0.8787 0.3683 0.8787
49 4 0.3683 0.8787 0.8787
50 4 0.1213 0.6317 0.8787
51 4 0.6317 0.8787 0.1213
52 2 0.5 0.5 0.7167
53 4 0.6213 0.1317 0.3787
54 4 0.1317 0.3787 0.6213
55 4 0.6213 0.8683 0.6213
56 4 0.8683 0.6213 0.6213
57 4 0.3787 0.1317 0.6213
58 4 0.1317 0.6213 0.3787
X-ray density (g/cm cub.) = 4.63
MU (1/cm) = 580.849 Mass attenuation coefficient (cm**2/g) = 125.404
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.36 4
2.3396 4
2.3396 4
2.3396 4
2.3396 4
2 Cu 3.36 3
2.2992 5
2.429 4
2.429 4
3 Sb 3.264 3
2.4494 4
2.4494 4
2.4494 4
4 S 4.368 10
4.3107 5
3.7994 4
3.6402 4
3.7994 4
3.7062 4
3.7062 4
3.831 4
3.831 4
3.831 4
3.831 4
5 S 4.368 12
4.3107 4
4.3107 4
4.3107 4
4.3107 4
4.3107 4
4.3107 4
4.3107 4
4.3107 4
4.3107 4
4.3107 4
4.3107 4
4.3107 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 5.893 11.786 0.067 186.76 12 23.6 87.1
2 2 0 0 8.349 16.698 0.094 91.92 6 123.5 589.4
3 1 1 2 10.243 20.487 0.115 60.33 24 68.0 468.8
4 2 2 0 11.85 23.699 0.133 44.55 12 184.7 1278.7
5 3 1 0 13.272 26.545 0.149 35.09 24 30.9 56.3
6 2 2 2 14.566 29.132 0.163 28.8 8 899.6 13069.6
7 3 2 1 15.762 31.524 0.176 24.31 48 118.3 1145.1
8 4 0 0 16.882 33.764 0.189 20.96 6 574.6 2910.2
9 1 1 4 17.94 35.879 0.2 18.35 24 177.6 974.4
10 3 3 0 17.94 35.879 0.2 18.35 12 104.3 167.8
11 4 2 0 18.946 37.892 0.211 16.28 24 95.4 249.0
12 3 3 2 19.909 39.817 0.221 14.58 24 125.4 385.7
13 2 2 4 20.834 41.668 0.231 13.18 24 90.6 182.1
14 4 3 1 21.727 43.454 0.24 11.99 48 150.8 918.3
15 5 1 0 21.727 43.454 0.24 11.99 24 166.6 559.9
16 5 2 1 23.431 46.862 0.258 10.12 48 153.7 804.5
17 4 4 0 24.248 48.496 0.267 9.36 12 956.4 7200.1
18 3 3 4 25.045 50.089 0.275 8.69 24 133.9 262.3
19 5 3 0 25.045 50.089 0.275 8.69 24 47.5 33.0
20 4 4 2 25.823 51.647 0.283 8.11 24 83.8 95.9
21 6 0 0 25.823 51.647 0.283 8.11 6 25.4 2.2
22 1 1 6 26.586 53.171 0.291 7.59 24 258.0 849.6
23 5 3 2 26.586 53.171 0.291 7.59 48 95.9 234.9
24 6 2 0 27.333 54.666 0.298 7.13 24 128.4 197.5
25 5 4 1 28.067 56.133 0.305 6.71 48 115.0 298.7
26 2 2 6 28.788 57.576 0.313 6.33 24 640.3 4369.8
27 6 3 1 29.498 58.996 0.32 6.0 48 134.7 365.9
28 4 4 4 30.198 60.395 0.326 5.69 8 407.0 528.4
29 5 4 3 30.888 61.775 0.333 5.41 48 107.1 208.6
30 5 5 0 30.888 61.775 0.333 5.41 12 220.9 222.1
31 7 1 0 30.888 61.775 0.333 5.41 24 111.6 113.3
32 6 4 0 31.569 63.138 0.34 5.16 24 24.8 5.4
33 3 3 6 32.242 64.484 0.346 4.92 24 177.3 260.3
34 5 5 2 32.242 64.484 0.346 4.92 24 77.2 49.3
35 7 2 1 32.242 64.484 0.346 4.92 48 27.1 12.2
36 6 4 2 32.908 65.815 0.353 4.71 48 71.4 80.9
37 7 3 0 33.566 67.132 0.359 4.52 24 4.3 0.1
38 6 5 1 34.865 69.731 0.371 4.18 48 153.1 329.3
39 7 3 2 34.865 69.731 0.371 4.18 48 162.4 370.9
40 8 0 0 35.507 71.013 0.377 4.03 6 734.4 913.5
41 1 1 8 36.143 72.286 0.383 3.89 24 186.3 227.2
42 5 5 4 36.143 72.286 0.383 3.89 24 224.1 328.5
43 7 4 1 36.143 72.286 0.383 3.89 48 99.4 129.2
44 4 4 6 36.775 73.549 0.389 3.76 24 36.3 8.3
45 8 2 0 36.775 73.549 0.389 3.76 24 54.4 18.7
46 6 5 3 37.403 74.805 0.394 3.65 48 213.7 560.1
47 2 2 8 38.027 76.053 0.4 3.54 24 61.1 22.3
48 6 6 0 38.027 76.053 0.4 3.54 12 111.4 37.0
49 7 4 3 38.647 77.295 0.405 3.44 48 125.8 183.2
50 7 5 0 38.647 77.295 0.405 3.44 24 53.8 16.8
51 8 3 1 38.647 77.295 0.405 3.44 48 213.5 527.7
52 6 6 2 39.265 78.53 0.411 3.35 24 494.9 1381.1
53 7 5 2 39.88 79.76 0.416 3.27 48 127.4 178.7
54 8 4 0 40.493 80.985 0.422 3.2 24 280.8 423.9
55 3 3 8 41.103 82.206 0.427 3.13 24 220.1 254.7
56 9 1 0 41.103 82.206 0.427 3.13 24 105.2 58.2
57 8 4 2 41.712 83.424 0.432 3.07 48 64.5 43.0
58 5 5 6 42.319 84.638 0.437 3.01 24 206.6 216.2
59 7 6 1 42.319 84.638 0.437 3.01 48 131.3 174.5
60 9 2 1 42.319 84.638 0.437 3.01 48 74.9 56.9
61 6 6 4 42.925 85.85 0.442 2.96 24 85.5 36.4
62 7 5 4 43.53 87.061 0.447 2.92 48 140.2 192.9
63 8 5 1 43.53 87.061 0.447 2.92 48 178.9 314.1
64 9 3 0 43.53 87.061 0.447 2.92 24 4.1 0.1
65 7 6 3 44.739 89.478 0.457 2.84 48 128.5 157.9
66 9 3 2 44.739 89.478 0.457 2.84 48 131.8 166.2
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 8.349 16.698 5.305 589.4 4.5 4.6 5.6
2 1 1 2 10.243 20.487 4.33151 468.8 3.6 3.6 5.6
3 2 2 0 11.85 23.699 3.7512 1278.7 9.8 9.8 5.6
4 2 2 2 14.566 29.132 3.06284 13069.6 100.0 100.0 5.6
5 3 2 1 15.762 31.524 2.83564 1145.1 8.8 8.7 5.6
6 4 0 0 16.882 33.764 2.6525 2910.2 22.3 22.2 5.7
7 1 1 4 17.94 35.879 2.5008 1142.2 8.7 8.7 5.7
8 4 2 0 18.946 37.892 2.37247 249.0 1.9 1.9 5.7
9 3 3 2 19.909 39.817 2.26206 385.7 3.0 2.9 5.7
10 2 2 4 20.834 41.668 2.16576 182.1 1.4 1.4 5.7
11 4 3 1 21.727 43.454 2.08079 1478.2 11.3 11.2 5.7
12 5 2 1 23.431 46.862 1.93711 804.5 6.2 6.1 5.7
13 4 4 0 24.248 48.496 1.8756 7200.1 55.1 54.1 5.7
14 3 3 4 25.045 50.089 1.8196 295.3 2.3 2.2 5.7
15 1 1 6 26.586 53.171 1.72117 1084.5 8.3 8.1 5.8
16 6 2 0 27.333 54.666 1.67759 197.5 1.5 1.5 5.8
17 5 4 1 28.067 56.133 1.63716 298.7 2.3 2.2 5.8
18 2 2 6 28.788 57.576 1.59952 4369.8 33.4 32.4 5.8
19 6 3 1 29.498 58.996 1.56436 365.9 2.8 2.7 5.8
20 4 4 4 30.198 60.395 1.53142 528.4 4.0 3.9 5.8
21 5 5 0 30.888 61.775 1.50048 544.1 4.2 4.0 5.8
22 3 3 6 32.242 64.484 1.44384 321.9 2.5 2.4 5.9
23 7 3 2 34.865 69.731 1.34747 700.2 5.4 5.1 5.9
24 8 0 0 35.507 71.013 1.32625 913.5 7.0 6.6 5.9
25 5 5 4 36.143 72.286 1.306 684.8 5.2 5.0 5.9
26 6 5 3 37.403 74.805 1.26814 560.1 4.3 4.0 6.0
27 8 3 1 38.647 77.295 1.23339 727.7 5.6 5.2 6.0
28 6 6 2 39.265 78.53 1.21705 1381.1 10.6 9.9 6.0
29 7 5 2 39.88 79.76 1.20135 178.7 1.4 1.3 6.0
30 8 4 0 40.493 80.985 1.18623 423.9 3.2 3.0 6.1
31 3 3 8 41.103 82.206 1.17168 313.0 2.4 2.2 6.1
32 5 5 6 42.319 84.638 1.14411 447.5 3.4 3.2 6.1
33 8 5 1 43.53 87.061 1.11839 507.1 3.9 3.6 6.1
34 9 3 2 44.739 89.478 1.09434 324.1 2.5 2.3 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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