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
2, t-tennantite-tetrahedrite, f-fahlores, sf-proper-fahlores, s-fahlores
Cu(9.96)Fe(0.35)Zn(1.92)Ag(0.06)Sb(3.87)S(12.82)
Cubic I 4(-)3m Z = 2
R =0.063 NR =1260
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 = 10.382 alpha = 90.0
b = 10.382 beta = 90.0
c = 10.382 gamma = 90.0
Unit cell volume (cub. angs.) = 1119.03
Molar volume ( cub.cm/mol.) = 337.02
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 1.27 Cu = 0.67, Zn = 0.32, Fe = 0.06
2 0.2163 0.0 0.0 4.37 Cu = 0.99, Ag = 0.01
3 0.2681 0.2681 0.2681 1.1 Sb = 0.97, Sb = 0.0
4 0.116 0.116 0.3612 1.0 S = 1.00
5 0.0 0.0 0.0 1.0 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 0.2163 0.0 0.0
3 3 0.2681 0.2681 0.2681
4 4 0.116 0.116 0.3612
5 5 0.0 0.0 0.0
6 1 0.25 0.0 0.5
7 2 0.2837 0.5 0.5
8 3 0.2319 0.2319 0.7681
9 4 0.384 0.384 0.8612
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 0.7837 0.0
15 2 0.7837 0.0 0.0
16 2 0.0 0.2163 0.0
17 3 0.2681 0.7319 0.7319
18 3 0.7319 0.7319 0.2681
19 3 0.7319 0.2681 0.7319
20 4 0.116 0.884 0.6388
21 4 0.884 0.884 0.3612
22 4 0.884 0.116 0.6388
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 0.7163 0.5
27 2 0.7163 0.5 0.5
28 2 0.5 0.2837 0.5
29 3 0.2319 0.7681 0.2319
30 3 0.7681 0.7681 0.7681
31 3 0.7681 0.2319 0.2319
32 4 0.384 0.616 0.1388
33 4 0.616 0.616 0.8612
34 4 0.616 0.384 0.1388
35 1 0.5 0.0 0.25
36 2 0.0 0.0 0.2163
37 4 0.116 0.3612 0.116
38 4 0.3612 0.116 0.116
39 1 0.0 0.5 0.25
40 2 0.5 0.5 0.2837
41 4 0.384 0.8612 0.384
42 4 0.8612 0.384 0.384
43 1 0.0 0.5 0.75
44 1 0.5 0.0 0.75
45 2 0.0 0.0 0.7837
46 4 0.884 0.6388 0.116
47 4 0.6388 0.116 0.884
48 4 0.884 0.3612 0.884
49 4 0.3612 0.884 0.884
50 4 0.116 0.6388 0.884
51 4 0.6388 0.884 0.116
52 2 0.5 0.5 0.7163
53 4 0.616 0.1388 0.384
54 4 0.1388 0.384 0.616
55 4 0.616 0.8612 0.616
56 4 0.8612 0.616 0.616
57 4 0.384 0.1388 0.616
58 4 0.1388 0.616 0.384
X-ray density (g/cm cub.) = 4.97
MU (1/cm) = 632.93 Mass attenuation coefficient (cm**2/g) = 127.425
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
2.3372 4
2.3372 4
2.3372 4
2.3372 4
2 Cu ,Ag 3.54 3
2.2456 5
2.2724 4
2.2724 4
3 Sb ,Sb 3.264 3
2.4334 4
2.4334 4
2.4334 4
4 S 4.368 10
4.1186 5
3.756 4
3.4063 4
3.756 4
3.6001 4
3.6001 4
3.8465 4
3.8465 4
3.8465 4
3.8465 4
5 S 4.368 12
4.1186 4
4.1186 4
4.1186 4
4.1186 4
4.1186 4
4.1186 4
4.1186 4
4.1186 4
4.1186 4
4.1186 4
4.1186 4
4.1186 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 6.023 12.046 0.068 178.69 12 23.0 90.4
2 2 0 0 8.533 17.067 0.096 87.89 6 103.2 448.8
3 1 1 2 10.471 20.942 0.118 57.65 24 59.4 389.6
4 2 2 0 12.114 24.227 0.136 42.54 12 169.2 1166.9
5 3 1 0 13.569 27.139 0.152 33.49 24 27.5 48.6
6 2 2 2 14.893 29.786 0.167 27.46 8 848.0 12615.9
7 3 2 1 16.117 32.235 0.18 23.17 48 112.2 1118.1
8 4 0 0 17.264 34.528 0.193 19.96 6 530.1 2687.4
9 1 1 4 18.347 36.695 0.204 17.47 24 172.1 991.7
10 3 3 0 18.347 36.695 0.204 17.47 12 107.8 194.5
11 4 2 0 19.378 38.757 0.215 15.48 24 94.5 264.8
12 3 3 2 20.365 40.73 0.226 13.87 24 101.6 274.3
13 2 2 4 21.314 42.627 0.236 12.52 24 94.7 215.3
14 4 3 1 22.229 44.459 0.246 11.39 48 130.2 740.3
15 5 1 0 22.229 44.459 0.246 11.39 24 108.7 258.1
16 5 2 1 23.977 47.955 0.264 9.6 48 149.2 819.6
17 4 4 0 24.816 49.632 0.272 8.88 12 818.9 5704.9
18 3 3 4 25.634 51.268 0.281 8.25 24 131.4 273.0
19 5 3 0 25.634 51.268 0.281 8.25 24 61.3 59.3
20 4 4 2 26.434 52.868 0.289 7.69 24 77.3 88.1
21 6 0 0 26.434 52.868 0.289 7.69 6 13.1 0.6
22 1 1 6 27.217 54.434 0.297 7.19 24 239.5 791.0
23 5 3 2 27.217 54.434 0.297 7.19 48 86.9 208.4
24 6 2 0 27.985 55.97 0.305 6.75 24 121.6 191.5
25 5 4 1 28.74 57.479 0.312 6.36 48 77.2 145.1
26 2 2 6 29.482 58.963 0.319 6.0 24 514.0 3040.3
27 6 3 1 30.212 60.425 0.327 5.68 48 112.7 276.7
28 4 4 4 30.933 61.865 0.334 5.39 8 320.5 354.0
29 5 4 3 31.643 63.287 0.341 5.13 48 103.1 209.0
30 5 5 0 31.643 63.287 0.341 5.13 12 155.5 118.8
31 7 1 0 31.643 63.287 0.341 5.13 24 104.7 107.8
32 6 4 0 32.345 64.69 0.347 4.89 24 0.3 0.0
33 3 3 6 33.039 66.078 0.354 4.67 24 137.9 170.2
34 5 5 2 33.039 66.078 0.354 4.67 24 45.2 18.3
35 7 2 1 33.039 66.078 0.354 4.67 48 24.7 11.0
36 6 4 2 33.726 67.451 0.36 4.47 48 71.4 87.4
37 7 3 0 34.405 68.811 0.367 4.29 24 17.1 2.4
38 6 5 1 35.747 71.493 0.379 3.97 48 96.0 140.5
39 7 3 2 35.747 71.493 0.379 3.97 48 68.6 71.7
40 8 0 0 36.409 72.819 0.385 3.83 6 546.2 548.2
41 1 1 8 37.067 74.135 0.391 3.71 24 130.2 120.4
42 5 5 4 37.067 74.135 0.391 3.71 24 120.6 103.3
43 7 4 1 37.067 74.135 0.391 3.71 48 88.5 111.3
44 4 4 6 37.721 75.442 0.397 3.59 24 36.9 9.4
45 8 2 0 37.721 75.442 0.397 3.59 24 45.6 14.3
46 6 5 3 38.371 76.742 0.403 3.48 48 186.7 465.4
47 2 2 8 39.017 78.035 0.409 3.39 24 20.2 2.6
48 6 6 0 39.017 78.035 0.409 3.39 12 75.7 18.6
49 7 4 3 39.661 79.321 0.414 3.3 48 77.7 76.3
50 7 5 0 39.661 79.321 0.414 3.3 24 51.5 16.8
51 8 3 1 39.661 79.321 0.414 3.3 48 186.9 441.6
52 6 6 2 40.301 80.603 0.42 3.22 24 352.7 767.4
53 7 5 2 40.94 81.879 0.425 3.14 48 125.8 190.7
54 8 4 0 41.576 83.151 0.431 3.08 24 195.7 226.0
55 3 3 8 42.21 84.421 0.436 3.02 24 133.5 103.1
56 9 1 0 42.21 84.421 0.436 3.02 24 47.5 13.1
57 8 4 2 42.843 85.687 0.441 2.97 48 50.1 28.5
58 5 5 6 43.476 86.951 0.447 2.92 24 148.2 123.0
59 7 6 1 43.476 86.951 0.447 2.92 48 113.8 145.0
60 9 2 1 43.476 86.951 0.447 2.92 48 47.2 24.9
61 6 6 4 44.107 88.214 0.452 2.88 24 75.1 31.1
62 7 5 4 44.738 89.476 0.457 2.84 48 119.3 155.1
63 8 5 1 44.738 89.476 0.457 2.84 48 147.2 236.1
64 9 3 0 44.738 89.476 0.457 2.84 24 37.0 7.5
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 8.533 17.067 5.191 448.8 3.6 3.6 5.6
2 1 1 2 10.471 20.942 4.23843 389.6 3.1 3.1 5.6
3 2 2 0 12.114 24.227 3.67059 1166.9 9.2 9.3 5.6
4 2 2 2 14.893 29.786 2.99703 12615.9 100.0 100.0 5.6
5 3 2 1 16.117 32.235 2.77471 1118.1 8.9 8.8 5.6
6 4 0 0 17.264 34.528 2.5955 2687.4 21.3 21.2 5.7
7 1 1 4 18.347 36.695 2.44706 1186.2 9.4 9.3 5.7
8 4 2 0 19.378 38.757 2.32149 264.8 2.1 2.1 5.7
9 3 3 2 20.365 40.73 2.21345 274.3 2.2 2.2 5.7
10 2 2 4 21.314 42.627 2.11922 215.3 1.7 1.7 5.7
11 4 3 1 22.229 44.459 2.03608 998.3 7.9 7.8 5.7
12 5 2 1 23.977 47.955 1.89549 819.6 6.5 6.4 5.7
13 4 4 0 24.816 49.632 1.8353 5704.9 45.2 44.3 5.7
14 3 3 4 25.634 51.268 1.7805 332.3 2.6 2.6 5.8
15 1 1 6 27.217 54.434 1.68418 999.5 7.9 7.7 5.8
16 6 2 0 27.985 55.97 1.64154 191.5 1.5 1.5 5.8
17 5 4 1 28.74 57.479 1.60198 145.1 1.2 1.1 5.8
18 2 2 6 29.482 58.963 1.56515 3040.3 24.1 23.3 5.8
19 6 3 1 30.212 60.425 1.53074 276.7 2.2 2.1 5.8
20 4 4 4 30.933 61.865 1.49851 354.0 2.8 2.7 5.8
21 5 4 3 31.643 63.287 1.46824 435.6 3.5 3.3 5.9
22 3 3 6 33.039 66.078 1.41281 199.5 1.6 1.5 5.9
23 6 5 1 35.747 71.493 1.31852 212.1 1.7 1.6 5.9
24 8 0 0 36.409 72.819 1.29775 548.2 4.3 4.1 6.0
25 1 1 8 37.067 74.135 1.27794 335.1 2.7 2.5 6.0
26 6 5 3 38.371 76.742 1.24089 465.4 3.7 3.5 6.0
27 8 3 1 39.661 79.321 1.20688 534.7 4.2 4.0 6.0
28 6 6 2 40.301 80.603 1.1909 767.4 6.1 5.7 6.1
29 7 5 2 40.94 81.879 1.17553 190.7 1.5 1.4 6.1
30 8 4 0 41.576 83.151 1.16074 226.0 1.8 1.7 6.1
31 7 6 1 43.476 86.951 1.11952 292.8 2.3 2.1 6.1
32 8 5 1 44.738 89.476 1.09436 398.7 3.2 2.9 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)
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