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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COLUSITE
2, f-enargite, sf-colusite
Cu(24)V(2)As(6)S(32)
Cubic P 4(-)3n Z = 1
R =0.055 NR =434
26 .9 .1995
Ref.Str.:
Spry P.G., Merlino S., Wang S., Zhang X., Buseck P.R. (1994)
* Amer. Mineral., 79, 750-762
Reserv:
There are U(ij) in the article. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.621 alpha = 90.0
b = 10.621 beta = 90.0
c = 10.621 gamma = 90.0
Unit cell volume (cub. angs.) = 1198.11
Molar volume ( cub.cm/mol.) = 721.67
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 0.0 V = 1.00
2 0.2592 0.0 0.0 0.0 Cu = 1.00
3 0.2513 0.2513 0.2513 0.0 Cu = 0.83, Cu = 0.0
4 0.25 0.0 0.5 0.0 Cu = 1.00
5 0.25 0.5 0.0 0.0 As = 0.64, Sn = 0.36
6 0.1209 0.1209 0.1209 0.0 S = 1.00
7 0.3655 0.3742 0.1208 0.0 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 0.2592 0.0 0.0
3 3 0.2513 0.2513 0.2513
4 4 0.25 0.0 0.5
5 5 0.25 0.5 0.0
6 6 0.1209 0.1209 0.1209
7 7 0.3655 0.3742 0.1208
8 2 0.7408 0.0 0.0
9 3 0.7487 0.7487 0.2513
10 4 0.75 0.0 0.5
11 5 0.75 0.5 0.0
12 6 0.8791 0.8791 0.1209
13 7 0.6345 0.6258 0.1208
14 3 0.7487 0.2513 0.7487
15 6 0.8791 0.1209 0.8791
16 7 0.6345 0.3742 0.8792
17 3 0.2513 0.7487 0.7487
18 6 0.1209 0.8791 0.8791
19 7 0.3655 0.6258 0.8792
20 1 0.5 0.5 0.5
21 2 0.5 0.7592 0.5
22 3 0.7513 0.7513 0.7513
23 4 0.5 0.75 0.0
24 5 0.0 0.75 0.5
25 6 0.6209 0.6209 0.6209
26 7 0.8742 0.8655 0.6208
27 2 0.5 0.2408 0.5
28 3 0.2487 0.2487 0.7513
29 4 0.5 0.25 0.0
30 5 0.0 0.25 0.5
31 6 0.3791 0.3791 0.6209
32 7 0.1258 0.1345 0.6208
33 3 0.7513 0.2487 0.2487
34 6 0.6209 0.3791 0.3791
35 7 0.8742 0.1345 0.3792
36 3 0.2487 0.7513 0.2487
37 6 0.3791 0.6209 0.3791
38 7 0.1258 0.8655 0.3792
39 2 0.0 0.0 0.2592
40 2 0.0 0.2592 0.0
41 4 0.0 0.5 0.25
42 5 0.5 0.0 0.25
43 7 0.3742 0.1208 0.3655
44 7 0.1208 0.3655 0.3742
45 2 0.0 0.0 0.7408
46 2 0.0 0.7408 0.0
47 4 0.0 0.5 0.75
48 5 0.5 0.0 0.75
49 7 0.6258 0.1208 0.6345
50 7 0.1208 0.6345 0.6258
51 7 0.3742 0.8792 0.6345
52 7 0.8792 0.6345 0.3742
53 7 0.6258 0.8792 0.3655
54 7 0.8792 0.3655 0.6258
55 2 0.7592 0.5 0.5
56 2 0.5 0.5 0.7592
57 7 0.8655 0.6208 0.8742
58 7 0.6208 0.8742 0.8655
59 2 0.2408 0.5 0.5
60 2 0.5 0.5 0.2408
61 7 0.1345 0.6208 0.1258
62 7 0.6208 0.1258 0.1345
63 7 0.1345 0.3792 0.8742
64 7 0.3792 0.8742 0.1345
65 7 0.8655 0.3792 0.1258
66 7 0.3792 0.1258 0.8655
X-ray density (g/cm cub.) = 4.49
MU (1/cm) = 398.59 Mass attenuation coefficient (cm**2/g) = 88.814
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 V 3.048 4
2.2241 6
2.2241 6
2.2241 6
2.2241 6
2 Cu 3.36 4
2.3357 6
2.3357 6
2.3346 7
2.3346 7
3 Cu ,Cu 3.36 4
2.3989 6
2.2575 7
2.2575 7
2.2575 7
4 Cu 3.36 4
2.3296 7
2.3296 7
2.3296 7
2.3296 7
5 As ,Sn 3.408 4
2.2218 7
2.2218 7
2.2218 7
2.2218 7
6 S 4.368 12
3.7399 7
3.6319 6
3.6319 6
3.6319 6
3.7964 7
3.8584 7
3.7399 7
3.7399 7
3.7964 7
3.7964 7
3.8584 7
3.8584 7
7 S 4.368 12
3.7399 6
3.912 7
3.8402 7
3.7048 7
3.8584 6
3.7964 6
3.7425 7
3.7425 7
3.5892 7
3.786 7
3.5892 7
3.786 7
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 0 0 4.159 8.318 0.047 377.26 6 0.0 0.0
2 1 1 0 5.887 11.774 0.067 187.15 12 2.8 1.2
3 2 0 0 8.34 16.68 0.094 92.12 6 87.3 293.6
4 2 1 0 9.333 18.666 0.105 73.12 24 48.1 282.8
5 1 1 2 10.233 20.466 0.115 60.46 24 55.4 309.9
6 2 2 0 11.837 23.674 0.133 44.65 12 16.7 10.4
7 3 0 0 12.567 25.133 0.141 39.38 6 0.0 0.0
8 3 1 0 13.258 26.517 0.149 35.17 24 27.4 44.3
9 2 2 2 14.55 29.101 0.163 28.87 8 854.1 11734.7
10 3 2 0 15.158 30.317 0.17 26.44 24 25.1 27.8
11 3 2 1 15.745 31.491 0.176 24.37 48 48.4 190.6
12 4 0 0 16.864 33.728 0.188 21.01 6 425.1 1586.6
13 4 1 0 17.399 34.798 0.194 19.62 24 1.9 0.1
14 1 1 4 17.92 35.841 0.2 18.4 24 26.4 21.4
15 3 3 0 17.92 35.841 0.2 18.4 12 50.4 39.1
16 4 2 0 18.925 37.851 0.211 16.32 24 76.5 159.7
17 4 2 1 19.411 38.823 0.216 15.43 48 24.6 31.2
18 3 3 2 19.887 39.774 0.221 14.62 24 86.3 182.2
19 2 2 4 20.812 41.623 0.231 13.21 24 14.8 4.8
20 4 3 0 21.261 42.523 0.235 12.59 24 1.7 0.1
21 5 0 0 21.261 42.523 0.235 12.59 6 0.0 0.0
22 4 3 1 21.703 43.407 0.24 12.02 48 29.3 34.6
23 5 1 0 21.703 43.407 0.24 12.02 24 14.0 3.9
24 4 3 2 22.989 45.978 0.254 10.56 48 33.4 39.3
25 5 2 0 22.989 45.978 0.254 10.56 24 17.6 5.5
26 5 2 1 23.405 46.81 0.258 10.14 48 4.0 0.6
27 4 4 0 24.221 48.442 0.266 9.38 12 1039.9 8480.5
28 3 3 4 25.017 50.034 0.275 8.72 24 48.7 34.5
29 5 3 0 25.017 50.034 0.275 8.72 24 5.5 0.4
30 5 3 1 25.408 50.816 0.279 8.41 48 0.2 0.0
31 4 4 2 25.795 51.589 0.282 8.13 24 62.5 53.0
32 6 0 0 25.795 51.589 0.282 8.13 6 78.9 21.1
33 6 1 0 26.177 52.354 0.286 7.86 24 4.8 0.3
34 1 1 6 26.556 53.112 0.29 7.61 24 11.6 1.7
35 5 3 2 26.556 53.112 0.29 7.61 48 39.3 39.4
36 6 2 0 27.302 54.604 0.298 7.14 24 5.4 0.3
37 5 4 0 27.67 55.34 0.301 6.93 24 1.5 0.0
38 6 2 1 27.67 55.34 0.301 6.93 48 2.9 0.2
39 5 4 1 28.035 56.07 0.305 6.73 48 17.9 7.2
40 2 2 6 28.755 57.511 0.312 6.35 24 693.0 5099.2
41 5 4 2 29.111 58.223 0.316 6.18 48 29.2 17.6
42 6 3 0 29.111 58.223 0.316 6.18 24 36.4 13.7
43 6 3 1 29.464 58.929 0.319 6.01 48 76.6 117.9
44 4 4 4 30.163 60.326 0.326 5.7 8 391.6 487.6
45 6 3 2 30.509 61.017 0.33 5.56 48 2.9 0.2
46 7 0 0 30.509 61.017 0.33 5.56 6 0.0 0.0
47 5 4 3 30.852 61.704 0.333 5.42 48 21.3 8.2
48 5 5 0 30.852 61.704 0.333 5.42 12 27.4 3.4
49 7 1 0 30.852 61.704 0.333 5.42 24 42.4 16.3
50 6 4 0 31.532 63.065 0.339 5.17 24 60.3 31.4
51 6 4 1 31.869 63.739 0.343 5.05 48 37.6 23.9
52 7 2 0 31.869 63.739 0.343 5.05 24 24.4 5.0
53 3 3 6 32.204 64.409 0.346 4.94 24 44.4 16.3
54 5 5 2 32.204 64.409 0.346 4.94 24 1.1 0.0
55 7 2 1 32.204 64.409 0.346 4.94 48 70.4 81.8
56 6 4 2 32.869 65.738 0.352 4.72 48 9.1 1.3
57 7 3 0 33.527 67.054 0.359 4.53 24 57.4 24.9
58 7 3 1 33.853 67.707 0.362 4.44 48 0.2 0.0
59 6 4 3 34.502 69.004 0.368 4.27 48 12.1 2.1
60 6 5 0 34.502 69.004 0.368 4.27 24 36.6 9.5
61 6 5 1 34.824 69.648 0.371 4.19 48 36.2 18.4
62 7 3 2 34.824 69.648 0.371 4.19 48 70.0 68.6
63 8 0 0 35.464 70.928 0.377 4.04 6 883.2 1316.2
64 6 5 2 35.782 71.565 0.38 3.97 48 2.6 0.1
65 7 4 0 35.782 71.565 0.38 3.97 24 1.3 0.0
66 8 1 0 35.782 71.565 0.38 3.97 24 5.3 0.2
67 1 1 8 36.1 72.199 0.382 3.9 24 22.3 3.2
68 5 5 4 36.1 72.199 0.382 3.9 24 37.7 9.3
69 7 4 1 36.1 72.199 0.382 3.9 48 42.6 23.6
70 4 4 6 36.73 73.461 0.388 3.77 24 63.2 25.2
71 8 2 0 36.73 73.461 0.388 3.77 24 48.9 15.0
72 7 4 2 37.044 74.088 0.391 3.71 48 18.5 4.3
73 8 2 1 37.044 74.088 0.391 3.71 48 30.1 11.3
74 6 5 3 37.357 74.714 0.394 3.65 48 8.5 0.9
75 2 2 8 37.98 75.96 0.399 3.55 24 18.3 2.0
76 6 6 0 37.98 75.96 0.399 3.55 12 3.5 0.0
77 8 3 0 38.29 76.581 0.402 3.5 24 5.0 0.1
78 7 4 3 38.6 77.2 0.405 3.45 48 57.0 37.5
79 7 5 0 38.6 77.2 0.405 3.45 24 24.6 3.5
80 8 3 1 38.6 77.2 0.405 3.45 48 39.9 18.4
81 7 5 1 38.908 77.817 0.408 3.4 48 0.5 0.0
82 6 6 2 39.216 78.433 0.41 3.36 24 599.4 2017.8
83 6 5 4 39.524 79.047 0.413 3.32 48 8.5 0.8
84 8 3 2 39.524 79.047 0.413 3.32 48 24.6 6.7
85 7 5 2 39.83 79.661 0.416 3.28 48 32.6 11.7
86 8 4 0 40.442 80.884 0.421 3.2 24 337.5 609.8
87 8 4 1 40.747 81.494 0.424 3.17 48 3.8 0.2
88 9 0 0 40.747 81.494 0.424 3.17 6 0.0 0.0
89 3 3 8 41.051 82.103 0.426 3.13 24 39.8 8.3
90 9 1 0 41.051 82.103 0.426 3.13 24 24.8 3.2
91 7 5 3 41.355 82.711 0.429 3.1 48 0.4 0.0
92 8 4 2 41.659 83.318 0.431 3.07 48 47.2 22.9
93 7 6 0 41.962 83.924 0.434 3.04 24 5.2 0.1
94 9 2 0 41.962 83.924 0.434 3.04 24 23.2 2.7
95 5 5 6 42.265 84.53 0.437 3.01 24 28.7 4.2
96 7 6 1 42.265 84.53 0.437 3.01 48 37.3 14.0
97 9 2 1 42.265 84.53 0.437 3.01 48 0.9 0.0
98 6 6 4 42.87 85.74 0.442 2.96 24 4.0 0.1
99 7 6 2 43.172 86.344 0.444 2.94 48 2.5 0.1
100 8 4 3 43.172 86.344 0.444 2.94 48 3.6 0.1
101 8 5 0 43.172 86.344 0.444 2.94 24 5.0 0.1
102 7 5 4 43.474 86.948 0.447 2.92 48 19.1 3.6
103 8 5 1 43.474 86.948 0.447 2.92 48 40.5 16.0
104 9 3 0 43.474 86.948 0.447 2.92 24 7.0 0.2
105 9 3 1 43.776 87.551 0.449 2.9 48 0.4 0.0
106 8 5 2 44.379 88.758 0.454 2.86 48 19.7 3.7
107 7 6 3 44.68 89.36 0.456 2.84 48 91.4 79.5
108 9 3 2 44.68 89.36 0.456 2.84 48 1.2 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 2 0 0 8.34 16.68 5.3105 293.6 2.5 2.5 5.6
2 2 1 0 9.333 18.666 4.74986 282.8 2.4 2.4 5.6
3 1 1 2 10.233 20.466 4.33601 309.9 2.6 2.7 5.6
4 2 2 2 14.55 29.101 3.06602 11734.7 100.0 100.0 5.6
5 3 2 1 15.745 31.491 2.83858 190.6 1.6 1.6 5.6
6 4 0 0 16.864 33.728 2.65525 1586.6 13.5 13.5 5.7
7 4 2 0 18.925 37.851 2.37493 159.7 1.4 1.4 5.7
8 3 3 2 19.887 39.774 2.26441 182.2 1.6 1.5 5.7
9 4 4 0 24.221 48.442 1.87755 8480.5 72.3 70.9 5.7
10 2 2 6 28.755 57.511 1.60118 5099.2 43.5 42.1 5.8
11 6 3 1 29.464 58.929 1.56598 117.9 1.0 1.0 5.8
12 4 4 4 30.163 60.326 1.53301 487.6 4.2 4.0 5.8
13 8 0 0 35.464 70.928 1.32763 1316.2 11.2 10.6 5.9
14 6 6 2 39.216 78.433 1.21831 2017.8 17.2 16.1 6.0
15 8 4 0 40.442 80.884 1.18746 609.8 5.2 4.8 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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