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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GERMANITE
1, td-tennantite-tetrahedrite, f-chalcopyrite, sf-germanite, s-germanite
Cu(26)Ge(4)Fe(4)S(32)
Cubic P 4(-)3n Z = 4
R =0.036 NR =66
15 .8 .1990
Ref.Str.:
Tettenhorst R.T., Corbato C.E. (1984)
* Amer. Mineral., 69, 943-947
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.5862 alpha = 90.0
b = 10.5862 beta = 90.0
c = 10.5862 gamma = 90.0
Unit cell volume (cub. angs.) = 1186.37
Molar volume ( cub.cm/mol.) = 178.65
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 1.2 Cu = 1.00
2 0.25 0.5 0.0 1.2 Cu = 1.00
3 0.25 0.0 0.5 1.2 Cu = 1.00
4 0.257 0.0 0.0 1.2 Cu = 1.00
5 0.24 0.24 0.24 1.3 Ge = 0.5 , Fe = 0.5
6 0.121 0.121 0.121 1.3 S = 1.00
7 0.379 0.364 0.121 1.3 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.25 0.5 0.0
3 3 0.25 0.0 0.5
4 4 0.257 0.0 0.0
5 5 0.24 0.24 0.24
6 6 0.121 0.121 0.121
7 7 0.379 0.364 0.121
8 2 0.75 0.5 0.0
9 3 0.75 0.0 0.5
10 4 0.743 0.0 0.0
11 5 0.76 0.76 0.24
12 6 0.879 0.879 0.121
13 7 0.621 0.636 0.121
14 5 0.76 0.24 0.76
15 6 0.879 0.121 0.879
16 7 0.621 0.364 0.879
17 5 0.24 0.76 0.76
18 6 0.121 0.879 0.879
19 7 0.379 0.636 0.879
20 1 0.5 0.5 0.5
21 2 0.0 0.75 0.5
22 3 0.5 0.75 0.0
23 4 0.5 0.757 0.5
24 5 0.74 0.74 0.74
25 6 0.621 0.621 0.621
26 7 0.864 0.879 0.621
27 2 0.0 0.25 0.5
28 3 0.5 0.25 0.0
29 4 0.5 0.243 0.5
30 5 0.26 0.26 0.74
31 6 0.379 0.379 0.621
32 7 0.136 0.121 0.621
33 5 0.74 0.26 0.26
34 6 0.621 0.379 0.379
35 7 0.864 0.121 0.379
36 5 0.26 0.74 0.26
37 6 0.379 0.621 0.379
38 7 0.136 0.879 0.379
39 2 0.5 0.0 0.25
40 3 0.0 0.5 0.25
41 4 0.0 0.0 0.257
42 4 0.0 0.257 0.0
43 7 0.364 0.121 0.379
44 7 0.121 0.379 0.364
45 2 0.5 0.0 0.75
46 3 0.0 0.5 0.75
47 4 0.0 0.0 0.743
48 4 0.0 0.743 0.0
49 7 0.636 0.121 0.621
50 7 0.121 0.621 0.636
51 7 0.364 0.879 0.621
52 7 0.879 0.621 0.364
53 7 0.636 0.879 0.379
54 7 0.879 0.379 0.636
55 4 0.757 0.5 0.5
56 4 0.5 0.5 0.757
57 7 0.879 0.621 0.864
58 7 0.621 0.864 0.879
59 4 0.243 0.5 0.5
60 4 0.5 0.5 0.243
61 7 0.121 0.621 0.136
62 7 0.621 0.136 0.121
63 7 0.121 0.379 0.864
64 7 0.379 0.864 0.121
65 7 0.879 0.379 0.136
66 7 0.379 0.136 0.879
X-ray density (g/cm cub.) = 4.47
MU (1/cm) = 400.373 Mass attenuation coefficient (cm**2/g) = 89.646
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.36 4
2.2186 6
2.2186 6
2.2186 6
2.2186 6
2 Cu 3.36 4
2.3619 7
2.3619 7
2.3619 7
2.3619 7
3 Cu 3.36 4
2.1767 7
2.1767 7
2.1767 7
2.1767 7
4 Cu 3.36 4
2.314 6
2.314 6
2.3198 7
2.3198 7
5 Ge ,Fe 3.144 4
2.182 6
2.34 7
2.34 7
2.34 7
6 S 4.368 12
3.752 7
3.623 6
3.623 6
3.623 6
3.8551 7
3.7481 7
3.752 7
3.752 7
3.8551 7
3.8551 7
3.7481 7
3.7481 7
7 S 4.368 12
3.752 6
3.8541 7
3.623 7
3.8541 7
3.7481 6
3.8551 6
3.7553 7
3.7553 7
3.8583 7
3.5198 7
3.8583 7
3.5198 7
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 0 4.847 9.694 0.047 277.17 6 0.0 0.0
2 1 1 0 6.863 13.725 0.067 137.11 12 47.3 261.5
3 2 0 0 9.729 19.458 0.094 67.12 6 66.0 124.7
4 2 1 0 10.89 21.781 0.106 53.13 24 15.0 20.5
5 1 1 2 11.945 23.889 0.116 43.81 24 60.4 272.1
6 2 2 0 13.826 27.653 0.134 32.18 12 36.8 37.1
7 3 0 0 14.683 29.367 0.142 28.31 6 0.0 0.0
8 3 1 0 15.497 30.994 0.149 25.22 24 58.4 146.6
9 2 2 2 17.019 34.038 0.164 20.59 8 827.1 8006.7
10 3 2 0 17.737 35.473 0.17 18.82 24 11.3 4.1
11 3 2 1 18.43 36.86 0.177 17.3 48 57.4 194.4
12 4 0 0 19.753 39.507 0.189 14.84 6 463.5 1358.9
13 4 1 0 20.388 40.776 0.195 13.83 24 2.0 0.1
14 1 1 4 21.006 42.013 0.2 12.94 24 46.7 48.2
15 3 3 0 21.006 42.013 0.2 12.94 12 79.7 70.2
16 4 2 0 22.201 44.403 0.211 11.43 24 73.2 104.3
17 4 2 1 22.78 45.56 0.216 10.78 48 23.3 19.9
18 3 3 2 23.348 46.695 0.222 10.2 24 75.2 98.4
19 2 2 4 24.452 48.904 0.231 9.18 24 16.0 4.0
20 4 3 0 24.99 49.981 0.236 8.74 24 1.6 0.0
21 5 0 0 24.99 49.981 0.236 8.74 6 0.0 0.0
22 4 3 1 25.52 51.041 0.241 8.33 48 74.1 155.9
23 5 1 0 25.52 51.041 0.241 8.33 24 24.7 8.7
24 4 3 2 27.066 54.131 0.254 7.29 48 22.2 12.3
25 5 2 0 27.066 54.131 0.254 7.29 24 10.8 1.4
26 5 2 1 27.567 55.134 0.259 6.99 48 20.9 10.4
27 4 4 0 28.553 57.105 0.267 6.45 12 976.9 5250.2
28 3 3 4 29.517 59.033 0.275 5.99 24 71.4 52.0
29 5 3 0 29.517 59.033 0.275 5.99 24 27.1 7.5
30 5 3 1 29.991 59.982 0.279 5.78 48 0.0 0.0
31 4 4 2 30.461 60.923 0.283 5.58 24 76.4 55.5
32 6 0 0 30.461 60.923 0.283 5.58 6 77.9 14.4
33 6 1 0 30.927 61.855 0.287 5.4 24 26.6 6.5
34 1 1 6 31.389 62.779 0.291 5.22 24 52.6 24.7
35 5 3 2 31.389 62.779 0.291 5.22 48 52.2 48.5
36 6 2 0 32.302 64.604 0.299 4.91 24 9.1 0.7
37 5 4 0 32.753 65.506 0.302 4.76 24 1.7 0.0
38 6 2 1 32.753 65.506 0.302 4.76 48 2.9 0.1
39 5 4 1 33.201 66.402 0.306 4.62 48 47.5 35.6
40 2 2 6 34.088 68.176 0.313 4.38 24 609.8 2774.4
41 5 4 2 34.527 69.054 0.317 4.26 48 16.7 4.1
42 6 3 0 34.527 69.054 0.317 4.26 24 22.3 3.6
43 6 3 1 34.964 69.928 0.32 4.15 48 83.3 98.4
44 4 4 4 35.83 71.66 0.327 3.96 8 390.9 343.6
45 6 3 2 36.26 72.52 0.331 3.87 48 3.0 0.1
46 7 0 0 36.26 72.52 0.331 3.87 6 0.0 0.0
47 5 4 3 36.688 73.376 0.334 3.78 48 29.7 11.4
48 5 5 0 36.688 73.376 0.334 3.78 12 17.1 0.9
49 7 1 0 36.688 73.376 0.334 3.78 24 55.2 19.6
50 6 4 0 37.538 75.076 0.341 3.62 24 81.6 41.2
51 6 4 1 37.961 75.921 0.344 3.55 48 27.1 8.9
52 7 2 0 37.961 75.921 0.344 3.55 24 6.2 0.2
53 3 3 6 38.381 76.763 0.347 3.48 24 59.2 20.8
54 5 5 2 38.381 76.763 0.347 3.48 24 14.1 1.2
55 7 2 1 38.381 76.763 0.347 3.48 48 66.6 52.7
56 6 4 2 39.219 78.438 0.353 3.36 48 3.8 0.2
57 7 3 0 40.052 80.104 0.36 3.25 24 77.9 33.6
58 7 3 1 40.466 80.933 0.363 3.2 48 0.0 0.0
59 6 4 3 41.293 82.586 0.369 3.11 48 24.6 6.4
60 6 5 0 41.293 82.586 0.369 3.11 24 23.9 3.0
61 6 5 1 41.705 83.41 0.372 3.07 48 54.4 30.9
62 7 3 2 41.705 83.41 0.372 3.07 48 55.4 32.1
63 8 0 0 42.528 85.055 0.378 2.99 6 755.8 728.6
64 6 5 2 42.938 85.876 0.381 2.96 48 2.1 0.0
65 7 4 0 42.938 85.876 0.381 2.96 24 1.0 0.0
66 8 1 0 42.938 85.876 0.381 2.96 24 5.0 0.1
67 1 1 8 43.348 86.695 0.384 2.93 24 77.2 29.8
68 5 5 4 43.348 86.695 0.384 2.93 24 21.7 2.4
69 7 4 1 43.348 86.695 0.384 2.93 48 50.0 25.0
70 4 4 6 44.167 88.333 0.389 2.87 24 74.0 26.8
71 8 2 0 44.167 88.333 0.389 2.87 24 72.2 25.6
72 7 4 2 44.576 89.152 0.392 2.85 48 16.8 2.7
73 8 2 1 44.576 89.152 0.392 2.85 48 26.7 6.9
74 6 5 3 44.985 89.97 0.395 2.83 48 41.4 16.6
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 6.863 13.725 7.48557 261.5 3.3 3.3 5.6
2 2 0 0 9.729 19.458 5.2931 124.7 1.6 1.6 5.6
3 1 1 2 11.945 23.889 4.3218 272.1 3.4 3.4 5.6
4 3 1 0 15.497 30.994 3.34765 146.6 1.8 1.8 5.6
5 2 2 2 17.019 34.038 3.05597 8006.7 100.0 100.0 5.7
6 3 2 1 18.43 36.86 2.82928 194.4 2.4 2.4 5.7
7 4 0 0 19.753 39.507 2.64655 1358.9 17.0 16.9 5.7
8 3 3 0 21.006 42.013 2.49519 118.4 1.5 1.5 5.7
9 4 2 0 22.201 44.403 2.36715 104.3 1.3 1.3 5.7
10 3 3 2 23.348 46.695 2.25699 98.4 1.2 1.2 5.7
11 4 3 1 25.52 51.041 2.07612 164.6 2.1 2.0 5.8
12 4 4 0 28.553 57.105 1.87139 5250.2 65.6 63.9 5.8
13 2 2 6 34.088 68.176 1.59593 2774.4 34.7 33.2 5.9
14 6 3 1 34.964 69.928 1.56085 98.4 1.2 1.2 5.9
15 4 4 4 35.83 71.66 1.52799 343.6 4.3 4.1 5.9
16 8 0 0 42.528 85.055 1.32328 728.6 9.1 8.4 6.1
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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