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
1, Sn, f-enargite, sf-colusite
Cu(24)V(2)(As,Sn)(6)S(32)
Cubic P 4(-)3n Z = 1
R =0.059 NR =467
25 .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 = 10.538 alpha = 90.0
b = 10.538 beta = 90.0
c = 10.538 gamma = 90.0
Unit cell volume (cub. angs.) = 1170.24
Molar volume ( cub.cm/mol.) = 704.88
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 0.257 0.0 0.0 0.0 Cu = 1.00
3 0.2495 0.2495 0.2495 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 0.1192 0.1192 0.1192 0.0 S = 1.00
7 0.3704 0.3734 0.122 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 0.257 0.0 0.0
3 3 0.2495 0.2495 0.2495
4 4 0.25 0.0 0.5
5 5 0.25 0.5 0.0
6 6 0.1192 0.1192 0.1192
7 7 0.3704 0.3734 0.122
8 2 0.743 0.0 0.0
9 3 0.7505 0.7505 0.2495
10 4 0.75 0.0 0.5
11 5 0.75 0.5 0.0
12 6 0.8808 0.8808 0.1192
13 7 0.6296 0.6266 0.122
14 3 0.7505 0.2495 0.7505
15 6 0.8808 0.1192 0.8808
16 7 0.6296 0.3734 0.878
17 3 0.2495 0.7505 0.7505
18 6 0.1192 0.8808 0.8808
19 7 0.3704 0.6266 0.878
20 1 0.5 0.5 0.5
21 2 0.5 0.757 0.5
22 3 0.7495 0.7495 0.7495
23 4 0.5 0.75 0.0
24 5 0.0 0.75 0.5
25 6 0.6192 0.6192 0.6192
26 7 0.8734 0.8704 0.622
27 2 0.5 0.243 0.5
28 3 0.2505 0.2505 0.7495
29 4 0.5 0.25 0.0
30 5 0.0 0.25 0.5
31 6 0.3808 0.3808 0.6192
32 7 0.1266 0.1296 0.622
33 3 0.7495 0.2505 0.2505
34 6 0.6192 0.3808 0.3808
35 7 0.8734 0.1296 0.378
36 3 0.2505 0.7495 0.2505
37 6 0.3808 0.6192 0.3808
38 7 0.1266 0.8704 0.378
39 2 0.0 0.0 0.257
40 2 0.0 0.257 0.0
41 4 0.0 0.5 0.25
42 5 0.5 0.0 0.25
43 7 0.3734 0.122 0.3704
44 7 0.122 0.3704 0.3734
45 2 0.0 0.0 0.743
46 2 0.0 0.743 0.0
47 4 0.0 0.5 0.75
48 5 0.5 0.0 0.75
49 7 0.6266 0.122 0.6296
50 7 0.122 0.6296 0.6266
51 7 0.3734 0.878 0.6296
52 7 0.878 0.6296 0.3734
53 7 0.6266 0.878 0.3704
54 7 0.878 0.3704 0.6266
55 2 0.757 0.5 0.5
56 2 0.5 0.5 0.757
57 7 0.8704 0.622 0.8734
58 7 0.622 0.8734 0.8704
59 2 0.243 0.5 0.5
60 2 0.5 0.5 0.243
61 7 0.1296 0.622 0.1266
62 7 0.622 0.1266 0.1296
63 7 0.1296 0.378 0.8734
64 7 0.378 0.8734 0.1296
65 7 0.8704 0.378 0.1266
66 7 0.378 0.1266 0.8704
X-ray density (g/cm cub.) = 4.59
MU (1/cm) = 408.082 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
2.1757 6
2.1757 6
2.1757 6
2.1757 6
2 Cu 3.36 4
2.2944 6
2.2944 6
2.2959 7
2.2959 7
3 Cu ,Cu 3.36 4
2.3783 6
2.2657 7
2.2657 7
2.2657 7
4 Cu 3.36 4
2.2823 7
2.2823 7
2.2823 7
2.2823 7
5 As ,Sn 3.408 4
2.2456 7
2.2456 7
2.2456 7
2.2456 7
6 S 4.368 12
3.7662 7
3.5529 6
3.5529 6
3.5529 6
3.7629 7
3.7839 7
3.7662 7
3.7662 7
3.7629 7
3.7629 7
3.7839 7
3.7839 7
7 S 4.368 12
3.7662 6
3.8184 7
3.7513 7
3.7055 7
3.7839 6
3.7629 6
3.7245 7
3.7245 7
3.6475 7
3.7149 7
3.6475 7
3.7149 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 4.192 8.384 0.047 371.34 6 0.0 0.0
2 1 1 0 5.933 11.867 0.067 184.19 12 7.8 9.9
3 2 0 0 8.406 16.812 0.095 90.64 6 93.7 348.5
4 2 1 0 9.407 18.814 0.106 71.94 24 42.0 222.7
5 1 1 2 10.314 20.628 0.116 59.48 24 55.4 319.7
6 2 2 0 11.932 23.863 0.134 43.91 12 16.5 10.4
7 3 0 0 12.667 25.334 0.142 38.73 6 0.0 0.0
8 3 1 0 13.365 26.729 0.15 34.58 24 26.9 43.9
9 2 2 2 14.668 29.335 0.164 28.37 8 854.0 12087.8
10 3 2 0 15.281 30.562 0.171 25.99 24 29.5 39.6
11 3 2 1 15.873 31.745 0.178 23.95 48 47.6 190.5
12 4 0 0 17.001 34.001 0.19 20.64 6 424.5 1629.5
13 4 1 0 17.541 35.081 0.196 19.28 24 0.4 0.0
14 1 1 4 18.066 36.133 0.201 18.07 24 16.0 8.1
15 3 3 0 18.066 36.133 0.201 18.07 12 37.2 21.9
16 4 2 0 19.08 38.161 0.212 16.02 24 71.9 145.2
17 4 2 1 19.57 39.141 0.217 15.15 48 25.6 34.8
18 3 3 2 20.05 40.101 0.223 14.36 24 76.4 146.9
19 2 2 4 20.983 41.966 0.232 12.97 24 15.1 5.2
20 4 3 0 21.437 42.874 0.237 12.36 24 0.3 0.0
21 5 0 0 21.437 42.874 0.237 12.36 6 0.0 0.0
22 4 3 1 21.883 43.766 0.242 11.8 48 27.8 32.1
23 5 1 0 21.883 43.766 0.242 11.8 24 10.6 2.3
24 4 3 2 23.181 46.361 0.256 10.36 48 27.1 26.6
25 5 2 0 23.181 46.361 0.256 10.36 24 22.2 9.0
26 5 2 1 23.601 47.201 0.26 9.95 48 11.9 4.9
27 4 4 0 24.424 48.849 0.268 9.21 12 1041.8 8754.6
28 3 3 4 25.228 50.455 0.277 8.55 24 44.2 29.3
29 5 3 0 25.228 50.455 0.277 8.55 24 8.8 1.2
30 5 3 1 25.622 51.245 0.281 8.25 48 0.0 0.0
31 4 4 2 26.013 52.026 0.285 7.98 24 68.2 65.0
32 6 0 0 26.013 52.026 0.285 7.98 6 63.5 14.1
33 6 1 0 26.399 52.798 0.289 7.71 24 16.3 3.6
34 1 1 6 26.782 53.563 0.292 7.46 24 13.4 2.3
35 5 3 2 26.782 53.563 0.292 7.46 48 39.3 40.4
36 6 2 0 27.535 55.071 0.3 7.01 24 9.0 1.0
37 5 4 0 27.907 55.814 0.304 6.8 24 0.3 0.0
38 6 2 1 27.907 55.814 0.304 6.8 48 0.6 0.0
39 5 4 1 28.276 56.551 0.307 6.6 48 15.0 5.2
40 2 2 6 29.003 58.007 0.315 6.23 24 694.7 5268.8
41 5 4 2 29.363 58.726 0.318 6.06 48 23.4 11.6
42 6 3 0 29.363 58.726 0.318 6.06 24 26.4 7.4
43 6 3 1 29.72 59.439 0.322 5.9 48 66.9 92.4
44 4 4 4 30.426 60.851 0.329 5.59 8 389.3 495.2
45 6 3 2 30.775 61.55 0.332 5.45 48 0.6 0.0
46 7 0 0 30.775 61.55 0.332 5.45 6 0.0 0.0
47 5 4 3 31.122 62.244 0.336 5.32 48 14.0 3.7
48 5 5 0 31.122 62.244 0.336 5.32 12 11.8 0.6
49 7 1 0 31.122 62.244 0.336 5.32 24 31.5 9.2
50 6 4 0 31.81 63.619 0.342 5.07 24 70.4 44.0
51 6 4 1 32.15 64.301 0.345 4.96 48 25.7 11.5
52 7 2 0 32.15 64.301 0.345 4.96 24 21.4 4.0
53 3 3 6 32.489 64.978 0.349 4.84 24 40.3 13.8
54 5 5 2 32.489 64.978 0.349 4.84 24 9.3 0.7
55 7 2 1 32.489 64.978 0.349 4.84 48 62.0 65.2
56 6 4 2 33.161 66.322 0.355 4.64 48 9.2 1.4
57 7 3 0 33.826 67.653 0.361 4.45 24 54.0 22.7
58 7 3 1 34.157 68.313 0.364 4.36 48 0.0 0.0
59 6 4 3 34.813 69.625 0.371 4.19 48 14.3 3.0
60 6 5 0 34.813 69.625 0.371 4.19 24 24.8 4.5
61 6 5 1 35.138 70.277 0.374 4.11 48 36.6 19.3
62 7 3 2 35.138 70.277 0.374 4.11 48 61.6 54.7
63 8 0 0 35.786 71.573 0.38 3.97 6 888.0 1370.0
64 6 5 2 36.108 72.217 0.383 3.9 48 0.5 0.0
65 7 4 0 36.108 72.217 0.383 3.9 24 0.3 0.0
66 8 1 0 36.108 72.217 0.383 3.9 24 1.1 0.0
67 1 1 8 36.429 72.859 0.385 3.83 24 27.8 5.2
68 5 5 4 36.429 72.859 0.385 3.83 24 27.3 5.0
69 7 4 1 36.429 72.859 0.385 3.83 48 39.5 20.9
70 4 4 6 37.068 74.136 0.391 3.71 24 51.6 17.3
71 8 2 0 37.068 74.136 0.391 3.71 24 55.2 19.8
72 7 4 2 37.386 74.771 0.394 3.65 48 17.0 3.7
73 8 2 1 37.386 74.771 0.394 3.65 48 21.0 5.6
74 6 5 3 37.702 75.405 0.397 3.59 48 11.4 1.6
75 2 2 8 38.333 76.667 0.403 3.49 24 16.2 1.6
76 6 6 0 38.333 76.667 0.403 3.49 12 3.1 0.0
77 8 3 0 38.648 77.295 0.405 3.44 24 1.1 0.0
78 7 4 3 38.961 77.922 0.408 3.4 48 42.1 21.1
79 7 5 0 38.961 77.922 0.408 3.4 24 25.0 3.7
80 8 3 1 38.961 77.922 0.408 3.4 48 28.3 9.5
81 7 5 1 39.274 78.547 0.411 3.35 48 0.1 0.0
82 6 6 2 39.586 79.171 0.414 3.31 24 602.6 2105.1
83 6 5 4 39.897 79.794 0.416 3.27 48 12.3 1.7
84 8 3 2 39.897 79.794 0.416 3.27 48 17.5 3.5
85 7 5 2 40.208 80.416 0.419 3.23 48 32.0 11.6
86 8 4 0 40.828 81.655 0.424 3.16 24 333.8 616.4
87 8 4 1 41.137 82.274 0.427 3.12 48 0.8 0.0
88 9 0 0 41.137 82.274 0.427 3.12 6 0.0 0.0
89 3 3 8 41.446 82.891 0.43 3.09 24 37.1 7.4
90 9 1 0 41.446 82.891 0.43 3.09 24 11.8 0.8
91 7 5 3 41.754 83.508 0.432 3.06 48 0.1 0.0
92 8 4 2 42.062 84.123 0.435 3.03 48 46.7 23.2
93 7 6 0 42.369 84.739 0.437 3.01 24 12.6 0.8
94 9 2 0 42.369 84.739 0.437 3.01 24 19.0 1.9
95 5 5 6 42.677 85.353 0.44 2.98 24 18.2 1.7
96 7 6 1 42.677 85.353 0.44 2.98 48 34.2 12.2
97 9 2 1 42.677 85.353 0.44 2.98 48 8.9 0.8
98 6 6 4 43.29 86.581 0.445 2.93 24 8.9 0.4
99 7 6 2 43.597 87.194 0.448 2.91 48 0.5 0.0
100 8 4 3 43.597 87.194 0.448 2.91 48 0.8 0.0
101 8 5 0 43.597 87.194 0.448 2.91 24 1.0 0.0
102 7 5 4 43.903 87.807 0.45 2.89 48 18.1 3.3
103 8 5 1 43.903 87.807 0.45 2.89 48 21.8 4.8
104 9 3 0 43.903 87.807 0.45 2.89 24 4.3 0.1
105 9 3 1 44.21 88.419 0.453 2.87 48 0.1 0.0
106 8 5 2 44.822 89.644 0.458 2.84 48 16.0 2.5
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 8.406 16.812 5.269 348.5 2.9 2.9 5.6
2 2 1 0 9.407 18.814 4.71274 222.7 1.8 1.9 5.6
3 1 1 2 10.314 20.628 4.30212 319.7 2.6 2.7 5.6
4 2 2 2 14.668 29.335 3.04206 12087.8 100.0 100.0 5.6
5 3 2 1 15.873 31.745 2.8164 190.5 1.6 1.6 5.6
6 4 0 0 17.001 34.001 2.6345 1629.5 13.5 13.4 5.7
7 4 2 0 19.08 38.161 2.35637 145.2 1.2 1.2 5.7
8 3 3 2 20.05 40.101 2.24671 146.9 1.2 1.2 5.7
9 4 4 0 24.424 48.849 1.86287 8754.6 72.4 71.0 5.7
10 2 2 6 29.003 58.007 1.58866 5268.8 43.6 42.3 5.8
11 4 4 4 30.426 60.851 1.52103 495.2 4.1 4.0 5.8
12 8 0 0 35.786 71.573 1.31725 1370.0 11.3 10.7 5.9
13 6 6 2 39.586 79.171 1.20879 2105.1 17.4 16.3 6.0
14 8 4 0 40.828 81.655 1.17818 616.4 5.1 4.7 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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