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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COVELLITE
7, t-covellite
CuS
Hexagonal P 6(3)/mmc Z = 6
P6(3)/mmc
28 .5 .1907
Ref.Str.:
Ohmasa M., Suzuki M., Takeuchi Y. (1976)
* Mineral. J (Japan), 8, 311-319
Reserv:
from Kosaka mine, Akita Prefecture, Japan.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.796 alpha = 90.0
b = 3.796 beta = 90.0
c = 16.382 gamma = 120.0
Unit cell volume (cub. angs.) = 204.43
Molar volume ( cub.cm/mol.) = 20.52
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.75 0.0 Cu = 1.00
2 0.3333 0.6667 0.1072 0.0 Cu = 1.00
3 0.3333 0.6667 0.25 0.0 S = 1.00
4 0.0 0.0 0.0637 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.75
2 2 0.3333 0.6667 0.1072
3 3 0.3333 0.6667 0.25
4 4 0.0 0.0 0.0637
5 1 0.6667 0.3333 0.25
6 2 0.6667 0.3333 0.6072
7 3 0.6667 0.3333 0.75
8 4 0.0 0.0 0.5637
9 2 0.3333 0.6667 0.3928
10 4 0.0 0.0 0.4363
11 2 0.6667 0.3333 0.8928
12 4 0.0 0.0 0.9363
X-ray density (g/cm cub.) = 4.66
MU (1/cm) = 302.949 Mass attenuation coefficient (cm**2/g) = 65.039
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.36 3
2.1916 3
2.1917 3
2.1916 3
2 Cu 3.36 4
2.3387 3
2.3048 4
2.3047 4
2.3048 4
3 S 4.368 12
3.796 3
3.796 3
3.796 3
3.796 3
3.796 3
3.796 3
3.7574 4
3.7573 4
3.7574 4
3.7574 4
3.7573 4
3.7574 4
4 S 4.368 16
3.7574 3
3.7573 3
3.7574 3
3.796 4
3.796 4
3.796 4
3.796 4
3.796 4
3.796 4
4.3319 4
4.3319 4
4.3319 4
2.0871 4
4.3319 4
4.3319 4
4.3319 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 0 0 2 5.396 10.792 0.061 223.18 2 17.2 315.9
2 0 0 4 10.841 21.681 0.122 53.64 2 14.4 53.5
3 1 0 0 13.551 27.102 0.152 33.58 6 34.7 581.2
4 1 0 1 13.826 27.653 0.155 32.18 12 32.6 979.9
5 1 0 2 14.624 29.248 0.164 28.56 12 60.7 3025.6
6 1 0 3 15.872 31.745 0.178 23.95 12 94.7 6171.1
7 0 0 6 16.387 32.773 0.183 22.35 2 165.4 2925.0
8 1 0 4 17.485 34.97 0.195 19.41 12 5.9 19.2
9 1 0 5 19.386 38.771 0.215 15.47 12 38.6 661.5
10 1 0 6 21.514 43.028 0.238 12.26 12 29.7 311.5
11 0 0 8 22.096 44.192 0.244 11.55 2 79.9 352.4
12 1 0 7 23.83 47.66 0.262 9.74 12 55.3 853.4
13 1 1 0 23.944 47.887 0.263 9.63 6 191.1 5048.9
14 1 1 2 24.62 49.239 0.27 9.04 12 16.4 69.8
15 1 0 8 26.306 52.612 0.288 7.77 12 95.7 2045.6
16 1 1 4 26.571 53.141 0.29 7.6 12 16.1 56.7
17 2 0 0 27.945 55.89 0.304 6.78 6 34.5 115.8
18 0 0 10 28.047 56.094 0.305 6.72 2 9.8 3.1
19 2 0 1 28.098 56.195 0.306 6.69 12 25.0 120.4
20 2 0 2 28.552 57.105 0.31 6.45 12 46.5 400.3
21 1 0 9 28.928 57.857 0.314 6.27 12 35.2 222.9
22 2 0 3 29.301 58.601 0.318 6.09 12 83.5 1218.7
23 1 1 6 29.621 59.242 0.321 5.94 12 136.4 3174.9
24 2 0 4 30.328 60.657 0.328 5.63 12 6.2 6.2
25 2 0 5 31.62 63.241 0.34 5.14 12 34.7 177.2
26 1 0 10 31.692 63.383 0.341 5.11 12 30.0 132.3
27 2 0 6 33.161 66.321 0.355 4.64 12 26.8 95.3
28 1 1 8 33.597 67.195 0.359 4.51 12 70.2 638.2
29 0 0 12 34.349 68.699 0.366 4.31 2 40.9 34.5
30 1 0 11 34.598 69.196 0.369 4.24 12 78.3 746.2
31 2 0 7 34.936 69.872 0.372 4.16 12 47.7 271.6
32 2 0 8 36.936 73.871 0.39 3.73 12 83.3 743.1
33 1 0 12 37.659 75.317 0.397 3.6 12 15.2 23.9
34 2 1 0 38.311 76.622 0.402 3.49 12 30.1 90.7
35 1 1 10 38.398 76.796 0.403 3.48 12 8.7 7.6
36 2 1 1 38.441 76.882 0.404 3.47 24 22.0 96.3
37 2 1 2 38.831 77.661 0.407 3.41 24 40.9 328.2
38 2 0 9 39.155 78.309 0.41 3.37 12 30.7 91.0
39 2 1 3 39.477 78.955 0.413 3.32 24 73.0 1015.5
40 2 1 4 40.378 80.756 0.421 3.21 24 5.3 5.1
41 1 0 13 40.891 81.783 0.425 3.15 12 21.0 39.8
42 0 0 14 41.169 82.337 0.427 3.12 2 96.4 138.6
43 2 1 5 41.53 83.06 0.43 3.08 24 30.1 160.5
44 2 0 10 41.594 83.188 0.431 3.08 12 26.6 62.7
45 2 1 6 42.93 85.86 0.442 2.96 24 23.1 90.6
46 1 1 12 44.03 88.06 0.451 2.88 12 36.6 110.9
47 2 0 11 44.262 88.524 0.453 2.87 12 68.5 386.1
48 1 0 14 44.326 88.651 0.454 2.86 12 82.3 557.4
49 2 1 7 44.578 89.157 0.456 2.85 24 42.4 294.8
50 3 0 0 44.663 89.325 0.456 2.85 6 146.9 881.2
51 3 0 1 44.789 89.579 0.457 2.84 12 0.0 0.0
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 0 0 2 5.396 10.792 8.191 315.9 5.1 5.2 5.6
2 1 0 0 13.551 27.102 3.28743 581.2 9.4 9.5 5.6
3 1 0 1 13.826 27.653 3.22317 979.9 15.9 15.9 5.6
4 1 0 2 14.624 29.248 3.05089 3025.6 49.0 49.1 5.6
5 1 0 3 15.872 31.745 2.81644 6171.1 100.0 100.0 5.6
6 0 0 6 16.387 32.773 2.73033 2925.0 47.4 47.4 5.6
7 1 0 5 19.386 38.771 2.32066 661.5 10.7 10.7 5.7
8 1 0 6 21.514 43.028 2.10039 311.5 5.0 5.0 5.7
9 0 0 8 22.096 44.192 2.04775 352.4 5.7 5.6 5.7
10 1 0 7 23.83 47.66 1.90653 853.4 13.8 13.6 5.7
11 1 1 0 23.944 47.887 1.898 5048.9 81.8 80.5 5.7
12 1 1 2 24.62 49.239 1.84901 69.8 1.1 1.1 5.7
13 1 0 8 26.306 52.612 1.73813 2045.6 33.1 32.4 5.8
14 2 0 0 27.945 55.89 1.64372 115.8 1.9 1.8 5.8
15 2 0 1 28.098 56.195 1.6355 120.4 2.0 1.9 5.8
16 2 0 2 28.552 57.105 1.61159 400.3 6.5 6.3 5.8
17 1 0 9 28.928 57.857 1.59242 222.9 3.6 3.5 5.8
18 2 0 3 29.301 58.601 1.57396 1218.7 19.7 19.2 5.8
19 1 1 6 29.621 59.242 1.55844 3174.9 51.4 49.9 5.8
20 2 0 5 31.62 63.241 1.46919 177.2 2.9 2.8 5.9
21 1 0 10 31.692 63.383 1.46623 132.3 2.1 2.1 5.9
22 2 0 6 33.161 66.321 1.40822 95.3 1.5 1.5 5.9
23 1 1 8 33.597 67.195 1.39202 638.2 10.3 9.9 5.9
24 1 0 11 34.598 69.196 1.35656 746.2 12.1 11.5 5.9
25 2 0 7 34.936 69.872 1.34509 271.6 4.4 4.2 5.9
26 2 0 8 36.936 73.871 1.28184 743.1 12.0 11.4 6.0
27 2 1 0 38.311 76.622 1.24253 90.7 1.5 1.4 6.0
28 2 1 1 38.441 76.882 1.23897 96.3 1.6 1.5 6.0
29 2 1 2 38.831 77.661 1.22848 328.2 5.3 5.0 6.0
30 2 0 9 39.155 78.309 1.21992 91.0 1.5 1.4 6.0
31 2 1 3 39.477 78.955 1.21156 1015.5 16.5 15.4 6.0
32 0 0 14 41.169 82.337 1.17014 138.6 2.2 2.1 6.1
33 2 1 5 41.53 83.06 1.16179 160.5 2.6 2.4 6.1
34 2 0 10 41.594 83.188 1.16033 62.7 1.0 0.9 6.1
35 2 1 6 42.93 85.86 1.13093 90.6 1.5 1.4 6.1
36 1 1 12 44.03 88.06 1.10827 110.9 1.8 1.6 6.2
37 2 0 11 44.262 88.524 1.10365 386.1 6.3 5.7 6.2
38 1 0 14 44.326 88.651 1.10239 557.4 9.0 8.3 6.2
39 2 1 7 44.578 89.157 1.09744 294.8 4.8 4.4 6.2
40 3 0 0 44.663 89.325 1.09581 881.2 14.3 13.0 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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