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
4, t-tennantite-tetrahedrite, Ag, f-fahlores, sf-proper-fahlores, s-fahlores
Cu(6.41)Fe(0.7)Zn(1.35)Ag(3.64)Sb(3.91)As(0.06)S(12.93)
Cubic I 4(-)3m Z = 2
R =0.045 NR =341
28 .5 .1903
Ref.Str.:
Rozhdestvenskaya I.V., Zayakina N.V., Samusikov V.P. (1993)
* Mineral. Zh., v15, 2, 9-17
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.576 alpha = 90.0
b = 10.576 beta = 90.0
c = 10.576 gamma = 90.0
Unit cell volume (cub. angs.) = 1182.94
Molar volume ( cub.cm/mol.) = 356.27
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 2.36 Cu = 0.68, Zn = 0.23, Fe = 0.15
2 0.2126 0.0 0.0 4.86 Cu = 0.39, Ag = 0.61
3 0.2687 0.2687 0.2687 1.46 Sb = 0.99, As = 0.01
4 0.121 0.121 0.3661 1.26 S = 1.00
5 0.0 0.0 0.0 1.26 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 0.2126 0.0 0.0
3 3 0.2687 0.2687 0.2687
4 4 0.121 0.121 0.3661
5 5 0.0 0.0 0.0
6 1 0.25 0.0 0.5
7 2 0.2874 0.5 0.5
8 3 0.2313 0.2313 0.7687
9 4 0.379 0.379 0.8661
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 0.7874 0.0
15 2 0.7874 0.0 0.0
16 2 0.0 0.2126 0.0
17 3 0.2687 0.7313 0.7313
18 3 0.7313 0.7313 0.2687
19 3 0.7313 0.2687 0.7313
20 4 0.121 0.879 0.6339
21 4 0.879 0.879 0.3661
22 4 0.879 0.121 0.6339
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 0.7126 0.5
27 2 0.7126 0.5 0.5
28 2 0.5 0.2874 0.5
29 3 0.2313 0.7687 0.2313
30 3 0.7687 0.7687 0.7687
31 3 0.7687 0.2313 0.2313
32 4 0.379 0.621 0.1339
33 4 0.621 0.621 0.8661
34 4 0.621 0.379 0.1339
35 1 0.5 0.0 0.25
36 2 0.0 0.0 0.2126
37 4 0.121 0.3661 0.121
38 4 0.3661 0.121 0.121
39 1 0.0 0.5 0.25
40 2 0.5 0.5 0.2874
41 4 0.379 0.8661 0.379
42 4 0.8661 0.379 0.379
43 1 0.0 0.5 0.75
44 1 0.5 0.0 0.75
45 2 0.0 0.0 0.7874
46 4 0.879 0.6339 0.121
47 4 0.6339 0.121 0.879
48 4 0.879 0.3661 0.879
49 4 0.3661 0.879 0.879
50 4 0.121 0.6339 0.879
51 4 0.6339 0.879 0.121
52 2 0.5 0.5 0.7126
53 4 0.621 0.1339 0.379
54 4 0.1339 0.379 0.621
55 4 0.621 0.8661 0.621
56 4 0.8661 0.621 0.621
57 4 0.379 0.1339 0.621
58 4 0.1339 0.621 0.379
X-ray density (g/cm cub.) = 5.18
MU (1/cm) = 831.101 Mass attenuation coefficient (cm**2/g) = 160.49
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu ,Zn ,Fe 3.36 4
2.3461 4
2.3461 4
2.3461 4
2.3461 4
2 Cu ,Ag 3.54 3
2.2485 5
2.4312 4
2.4312 4
3 Sb ,As 3.264 3
2.4375 4
2.4375 4
2.4375 4
4 S 4.368 10
4.274 5
3.8173 4
3.6195 4
3.8173 4
3.6659 4
3.6659 4
3.8381 4
3.8381 4
3.8381 4
3.8381 4
5 S 4.368 12
4.274 4
4.274 4
4.274 4
4.274 4
4.274 4
4.274 4
4.274 4
4.274 4
4.274 4
4.274 4
4.274 4
4.274 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 5.912 11.824 0.067 185.54 12 90.2 1293.2
2 2 0 0 8.376 16.752 0.095 91.32 6 71.6 200.5
3 1 1 2 10.277 20.554 0.116 59.93 24 59.6 365.2
4 2 2 0 11.888 23.776 0.134 44.25 12 154.1 901.4
5 3 1 0 13.316 26.632 0.15 34.85 24 43.4 112.8
6 2 2 2 14.614 29.227 0.164 28.6 8 926.8 14042.4
7 3 2 1 15.814 31.628 0.177 24.14 48 111.7 1033.4
8 4 0 0 16.938 33.875 0.189 20.81 6 588.7 3091.9
9 1 1 4 17.999 35.998 0.201 18.22 24 179.0 1001.0
10 3 3 0 17.999 35.998 0.201 18.22 12 115.7 209.3
11 4 2 0 19.009 38.018 0.211 16.16 24 80.8 180.9
12 3 3 2 19.975 39.951 0.222 14.48 24 158.9 626.7
13 2 2 4 20.904 41.808 0.232 13.08 24 68.2 104.2
14 4 3 1 21.801 43.601 0.241 11.9 48 141.1 812.8
15 5 1 0 21.801 43.601 0.241 11.9 24 180.5 665.3
16 5 2 1 23.511 47.022 0.259 10.04 48 146.8 741.6
17 4 4 0 24.331 48.662 0.267 9.29 12 845.0 5686.4
18 3 3 4 25.131 50.261 0.276 8.63 24 125.1 231.7
19 5 3 0 25.131 50.261 0.276 8.63 24 34.2 17.3
20 4 4 2 25.912 51.825 0.284 8.05 24 88.4 107.8
21 6 0 0 25.912 51.825 0.284 8.05 6 38.2 5.0
22 1 1 6 26.678 53.355 0.291 7.53 24 237.3 727.4
23 5 3 2 26.678 53.355 0.291 7.53 48 80.3 166.6
24 6 2 0 27.428 54.856 0.299 7.07 24 129.6 203.7
25 5 4 1 28.165 56.33 0.306 6.66 48 101.6 235.8
26 2 2 6 28.889 57.779 0.314 6.28 24 515.8 2867.1
27 6 3 1 29.602 59.205 0.321 5.95 48 116.2 275.6
28 4 4 4 30.305 60.61 0.328 5.64 8 298.5 287.5
29 5 4 3 30.998 61.996 0.334 5.37 48 93.2 159.8
30 5 5 0 30.998 61.996 0.334 5.37 12 190.6 167.3
31 7 1 0 30.998 61.996 0.334 5.37 24 90.2 74.9
32 6 4 0 31.682 63.364 0.341 5.12 24 6.9 0.4
33 3 3 6 32.358 64.716 0.347 4.89 24 145.7 178.0
34 5 5 2 32.358 64.716 0.347 4.89 24 57.2 27.4
35 7 2 1 32.358 64.716 0.347 4.89 48 18.4 5.7
36 6 4 2 33.027 66.054 0.354 4.68 48 74.0 87.9
37 7 3 0 33.689 67.377 0.36 4.48 24 17.7 2.4
38 6 5 1 34.994 69.987 0.372 4.15 48 117.1 195.0
39 7 3 2 34.994 69.987 0.372 4.15 48 113.6 183.5
40 8 0 0 35.638 71.276 0.378 4.0 6 538.8 497.7
41 1 1 8 36.278 72.555 0.384 3.86 24 147.8 144.7
42 5 5 4 36.278 72.555 0.384 3.86 24 160.3 170.1
43 7 4 1 36.278 72.555 0.384 3.86 48 77.9 80.4
44 4 4 6 36.913 73.825 0.39 3.74 24 28.7 5.3
45 8 2 0 36.913 73.825 0.39 3.74 24 58.6 22.0
46 6 5 3 37.543 75.087 0.396 3.62 48 172.7 370.5
47 2 2 8 38.171 76.341 0.401 3.52 24 21.6 2.8
48 6 6 0 38.171 76.341 0.401 3.52 12 101.5 31.1
49 7 4 3 38.795 77.589 0.407 3.42 48 86.0 86.7
50 7 5 0 38.795 77.589 0.407 3.42 24 43.1 10.9
51 8 3 1 38.795 77.589 0.407 3.42 48 169.4 336.7
52 6 6 2 39.416 78.831 0.412 3.33 24 329.7 621.0
53 7 5 2 40.034 80.068 0.418 3.25 48 109.3 133.3
54 8 4 0 40.65 81.3 0.423 3.18 24 150.1 122.8
55 3 3 8 41.264 82.528 0.428 3.11 24 155.0 128.2
56 9 1 0 41.264 82.528 0.428 3.11 24 57.8 17.8
57 8 4 2 41.876 83.752 0.433 3.05 48 58.6 35.9
58 5 5 6 42.487 84.974 0.438 3.0 24 144.8 107.8
59 7 6 1 42.487 84.974 0.438 3.0 48 104.5 112.1
60 9 2 1 42.487 84.974 0.438 3.0 48 42.2 18.3
61 6 6 4 43.097 86.194 0.443 2.95 24 79.8 32.2
62 7 5 4 43.706 87.411 0.449 2.9 48 105.8 111.4
63 8 5 1 43.706 87.411 0.449 2.9 48 134.2 179.3
64 9 3 0 43.706 87.411 0.449 2.9 24 24.0 2.9
65 7 6 3 44.922 89.844 0.458 2.83 48 79.1 60.7
66 9 3 2 44.922 89.844 0.458 2.83 48 95.8 89.1
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 5.912 11.824 7.47836 1293.2 9.2 9.3 5.6
2 2 0 0 8.376 16.752 5.288 200.5 1.4 1.4 5.6
3 1 1 2 10.277 20.554 4.31763 365.2 2.6 2.6 5.6
4 2 2 0 11.888 23.776 3.73918 901.4 6.4 6.4 5.6
5 2 2 2 14.614 29.227 3.05303 14042.4 100.0 100.0 5.6
6 3 2 1 15.814 31.628 2.82655 1033.4 7.4 7.3 5.6
7 4 0 0 16.938 33.875 2.644 3091.9 22.0 21.9 5.7
8 1 1 4 17.999 35.998 2.49279 1210.3 8.6 8.6 5.7
9 4 2 0 19.009 38.018 2.36487 180.9 1.3 1.3 5.7
10 3 3 2 19.975 39.951 2.25481 626.7 4.5 4.4 5.7
11 4 3 1 21.801 43.601 2.07412 1478.1 10.5 10.4 5.7
12 5 2 1 23.511 47.022 1.9309 741.6 5.3 5.2 5.7
13 4 4 0 24.331 48.662 1.86959 5686.4 40.5 39.7 5.7
14 3 3 4 25.131 50.261 1.81377 248.9 1.8 1.7 5.8
15 1 1 6 26.678 53.355 1.71565 894.1 6.4 6.2 5.8
16 6 2 0 27.428 54.856 1.67221 203.7 1.5 1.4 5.8
17 5 4 1 28.165 56.33 1.63191 235.8 1.7 1.6 5.8
18 2 2 6 28.889 57.779 1.59439 2867.1 20.4 19.8 5.8
19 6 3 1 29.602 59.205 1.55935 275.6 2.0 1.9 5.8
20 4 4 4 30.305 60.61 1.52651 287.5 2.0 2.0 5.8
21 5 5 0 30.998 61.996 1.49567 402.0 2.9 2.8 5.8
22 3 3 6 32.358 64.716 1.43921 211.0 1.5 1.4 5.9
23 6 5 1 34.994 69.987 1.34315 378.5 2.7 2.6 5.9
24 8 0 0 35.638 71.276 1.322 497.7 3.5 3.4 5.9
25 5 5 4 36.278 72.555 1.30182 395.2 2.8 2.7 6.0
26 6 5 3 37.543 75.087 1.26407 370.5 2.6 2.5 6.0
27 8 3 1 38.795 77.589 1.22944 434.3 3.1 2.9 6.0
28 6 6 2 39.416 78.831 1.21315 621.0 4.4 4.1 6.0
29 3 3 8 41.264 82.528 1.16792 146.0 1.0 1.0 6.1
30 7 6 1 42.487 84.974 1.14044 238.2 1.7 1.6 6.1
31 8 5 1 43.706 87.411 1.11481 293.6 2.1 1.9 6.2
32 9 3 2 44.922 89.844 1.09083 149.9 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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