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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HAKITE-(CD)
1, t-tennantite-tetrahedrite, f-fahlores, sf-proper-fahlores, s-fahlores, DF
Cu(6)[Cu(4)(Cd,Hg)(2)]Sb(4)(Se,S)(13)
Cubic I 4(-)3m Z = 2
R =0.023 NR =358
14 .4 .25
Ref.Str.:
Sejkora J., Biagioni C., Skacha P., Musetti S., Dolnicek Z. (2024)
* Mineral. Mag., 88, 602-612, doi.org/10.1180/mgm.2024.48
L: $Cu9.71 Ag0.24 Cd1.51 Hg0.43 Zn0.03 Sb3.94 As0.13 Se11.35 S1.57$
R: Locality - Pribram uranium and base-metal ore district,
Central Bohemia, Czech Republic. IMA2022-090. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.886 alpha = 90.0
b = 10.886 beta = 90.0
c = 10.886 gamma = 90.0
Unit cell volume (cub. angs.) = 1290.05
Molar volume ( cub.cm/mol.) = 388.52
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7957 0.0 0.0 0.0 Cu = 0.59, Cu = 0.0
2 0.7926 0.9621 0.0379 0.0 Cu = 0.2 , Cu = 0.0
3 0.75 0.5 0.0 0.0 Cu = 0.67, Cd = 0.23, Hg = 0.08
4 0.7341 0.7341 0.7341 0.0 Sb = 1.00
5 0.8876 0.8876 0.6444 0.0 Se = 0.96, S = 0.04
6 0.0 0.0 0.0 0.0 Se = 0.81, S = 0.19
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7957 0.0 0.0
2 2 0.7926 0.9621 0.0379
3 3 0.75 0.5 0.0
4 4 0.7341 0.7341 0.7341
5 5 0.8876 0.8876 0.6444
6 6 0.0 0.0 0.0
7 1 0.7043 0.5 0.5
8 2 0.7074 0.5379 0.5379
9 3 0.75 0.0 0.5
10 4 0.7659 0.7659 0.2341
11 5 0.6124 0.6124 0.1444
12 6 0.5 0.5 0.5
13 1 0.0 0.2043 0.0
14 1 0.2043 0.0 0.0
15 1 0.0 0.7957 0.0
16 2 0.9621 0.2074 0.9621
17 2 0.2074 0.0379 0.0379
18 2 0.0379 0.7926 0.9621
19 3 0.5 0.25 0.0
20 3 0.25 0.5 0.0
21 3 0.5 0.75 0.0
22 4 0.7341 0.2659 0.2659
23 4 0.2659 0.2659 0.7341
24 4 0.2659 0.7341 0.2659
25 5 0.8876 0.1124 0.3556
26 5 0.1124 0.1124 0.6444
27 5 0.1124 0.8876 0.3556
28 1 0.5 0.2957 0.5
29 1 0.2957 0.5 0.5
30 1 0.5 0.7043 0.5
31 2 0.5379 0.2926 0.4621
32 2 0.2926 0.4621 0.5379
33 2 0.4621 0.7074 0.4621
34 3 0.0 0.25 0.5
35 3 0.25 0.0 0.5
36 3 0.0 0.75 0.5
37 4 0.7659 0.2341 0.7659
38 4 0.2341 0.2341 0.2341
39 4 0.2341 0.7659 0.7659
40 5 0.6124 0.3876 0.8556
41 5 0.3876 0.3876 0.1444
42 5 0.3876 0.6124 0.8556
43 2 0.9621 0.7926 0.0379
44 2 0.5379 0.7074 0.5379
45 2 0.2074 0.9621 0.9621
46 2 0.0379 0.2074 0.0379
47 2 0.7926 0.0379 0.9621
48 2 0.2926 0.5379 0.4621
49 2 0.4621 0.2926 0.5379
50 2 0.7074 0.4621 0.4621
51 1 0.0 0.0 0.7957
52 2 0.9621 0.0379 0.7926
53 3 0.5 0.0 0.75
54 5 0.8876 0.6444 0.8876
55 5 0.6444 0.8876 0.8876
56 1 0.5 0.5 0.7043
57 2 0.5379 0.5379 0.7074
58 3 0.0 0.5 0.75
59 5 0.6124 0.1444 0.6124
60 5 0.1444 0.6124 0.6124
61 1 0.0 0.0 0.2043
62 2 0.9621 0.9621 0.2074
63 2 0.0379 0.0379 0.2074
64 3 0.0 0.5 0.25
65 3 0.5 0.0 0.25
66 5 0.1124 0.3556 0.8876
67 5 0.3556 0.8876 0.1124
68 5 0.1124 0.6444 0.1124
69 5 0.6444 0.1124 0.1124
70 5 0.8876 0.3556 0.1124
71 5 0.3556 0.1124 0.8876
72 1 0.5 0.5 0.2957
73 2 0.4621 0.5379 0.2926
74 2 0.4621 0.4621 0.7074
75 5 0.3876 0.8556 0.6124
76 5 0.8556 0.6124 0.3876
77 5 0.3876 0.1444 0.3876
78 5 0.1444 0.3876 0.3876
79 5 0.6124 0.8556 0.3876
80 5 0.8556 0.3876 0.6124
81 2 0.0379 0.9621 0.7926
82 2 0.5379 0.4621 0.2926
X-ray density (g/cm cub.) = 6.1
MU (1/cm) = 1194.708 Mass attenuation coefficient (cm**2/g) = 195.767
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu ,Cu 3.492 3
2.224 6
2.3888 5
2.3888 5
2 Cu ,Cu 3.492 3
2.3319 6
2.4366 5
2.4366 5
3 Cu ,Cd ,Hg 3.66 4
2.4923 5
2.4923 5
2.4923 5
2.4923 5
4 Sb 3.396 3
2.5569 5
2.5569 5
2.5569 5
5 Se ,S 4.632 10
4.2402 6
3.9836 5
3.4602 5
3.9836 5
3.7446 5
3.7446 5
4.1124 5
4.1124 5
4.1124 5
4.1124 5
6 Se ,S 4.632 12
4.2402 5
4.2402 5
4.2402 5
4.2402 5
4.2402 5
4.2402 5
4.2402 5
4.2402 5
4.2402 5
4.2402 5
4.2402 5
4.2402 5
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 1 0 6.673 13.346 0.065 145.16 12 0.5 0.0
2 2 0 0 9.458 18.917 0.092 71.14 6 40.1 41.3
3 1 1 2 11.611 23.222 0.113 46.49 24 106.3 758.1
4 2 2 0 13.438 26.877 0.13 34.18 12 178.9 788.7
5 3 1 0 15.06 30.12 0.145 26.82 24 94.4 344.5
6 2 2 2 16.537 33.074 0.159 21.92 8 1128.3 13411.7
7 3 2 1 17.905 35.81 0.172 18.43 48 182.0 1759.9
8 4 0 0 19.188 38.375 0.184 15.83 6 355.1 719.3
9 1 1 4 20.402 40.804 0.195 13.81 24 242.7 1173.0
10 3 3 0 20.402 40.804 0.195 13.81 12 246.4 604.5
11 4 2 0 21.559 43.118 0.205 12.21 24 81.9 118.0
12 3 3 2 22.668 45.336 0.215 10.9 24 113.8 203.7
13 2 2 4 23.736 47.473 0.225 9.82 24 123.5 216.0
14 4 3 1 24.769 49.539 0.234 8.92 48 208.5 1117.6
15 5 1 0 24.769 49.539 0.234 8.92 24 127.7 209.5
16 5 2 1 26.746 53.493 0.252 7.49 48 327.0 2308.5
17 4 4 0 27.697 55.395 0.26 6.91 12 1285.0 8232.3
18 3 3 4 28.627 57.254 0.268 6.42 24 255.2 602.6
19 5 3 0 28.627 57.254 0.268 6.42 24 103.0 98.1
20 4 4 2 29.538 59.075 0.276 5.98 24 81.9 57.9
21 6 0 0 29.538 59.075 0.276 5.98 6 0.4 0.0
22 1 1 6 30.431 60.863 0.283 5.59 24 455.4 1672.5
23 5 3 2 30.431 60.863 0.283 5.59 48 143.9 334.1
24 6 2 0 31.31 62.619 0.29 5.25 24 207.0 324.3
25 5 4 1 32.174 64.349 0.298 4.95 48 54.4 42.3
26 2 2 6 33.027 66.053 0.305 4.68 24 721.4 3509.4
27 6 3 1 33.868 67.735 0.312 4.43 48 51.6 34.0
28 4 4 4 34.699 69.398 0.318 4.22 8 262.8 140.0
29 5 4 3 35.521 71.042 0.325 4.02 48 138.8 223.7
30 5 5 0 35.521 71.042 0.325 4.02 12 276.4 221.6
31 7 1 0 35.521 71.042 0.325 4.02 24 231.7 311.5
32 6 4 0 36.335 72.67 0.331 3.85 24 63.3 22.2
33 3 3 6 37.142 74.284 0.338 3.69 24 206.5 227.2
34 5 5 2 37.142 74.284 0.338 3.69 24 124.8 83.0
35 7 2 1 37.142 74.284 0.338 3.69 48 26.9 7.7
36 6 4 2 37.943 75.886 0.344 3.55 48 95.1 92.7
37 7 3 0 38.738 77.476 0.35 3.43 24 28.0 3.9
38 6 5 1 40.314 80.628 0.362 3.22 48 95.9 85.3
39 7 3 2 40.314 80.628 0.362 3.22 48 46.6 20.1
40 8 0 0 41.096 82.193 0.367 3.13 6 909.3 932.4
41 1 1 8 41.876 83.752 0.373 3.05 24 161.6 114.8
42 5 5 4 41.876 83.752 0.373 3.05 24 149.1 97.8
43 7 4 1 41.876 83.752 0.373 3.05 48 183.4 296.0
44 4 4 6 42.653 85.306 0.379 2.98 24 31.3 4.2
45 8 2 0 42.653 85.306 0.379 2.98 24 74.2 23.7
46 6 5 3 43.429 86.857 0.384 2.92 48 378.7 1208.6
47 2 2 8 44.203 88.406 0.39 2.87 24 52.9 11.6
48 6 6 0 44.203 88.406 0.39 2.87 12 107.5 23.9
49 7 4 3 44.977 89.953 0.395 2.83 48 188.4 289.8
50 7 5 0 44.977 89.953 0.395 2.83 24 18.2 1.4
51 8 3 1 44.977 89.953 0.395 2.83 48 342.8 959.0
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 2 11.611 23.222 4.44419 758.1 5.7 5.7 5.6
2 2 2 0 13.438 26.877 3.84878 788.7 5.9 5.9 5.6
3 3 1 0 15.06 30.12 3.44246 344.5 2.6 2.6 5.6
4 2 2 2 16.537 33.074 3.14252 13411.7 100.0 100.0 5.6
5 3 2 1 17.905 35.81 2.90941 1759.9 13.1 13.1 5.7
6 4 0 0 19.188 38.375 2.7215 719.3 5.4 5.3 5.7
7 1 1 4 20.402 40.804 2.56586 1777.5 13.3 13.2 5.7
8 3 3 2 22.668 45.336 2.3209 203.7 1.5 1.5 5.7
9 2 2 4 23.736 47.473 2.2221 216.0 1.6 1.6 5.7
10 4 3 1 24.769 49.539 2.13492 1327.2 9.9 9.7 5.7
11 5 2 1 26.746 53.493 1.9875 2308.5 17.2 16.8 5.8
12 4 4 0 27.697 55.395 1.92439 8232.3 61.4 59.9 5.8
13 3 3 4 28.627 57.254 1.86693 700.7 5.2 5.1 5.8
14 1 1 6 30.431 60.863 1.76594 2006.6 15.0 14.5 5.8
15 6 2 0 31.31 62.619 1.72123 324.3 2.4 2.3 5.8
16 2 2 6 33.027 66.053 1.64113 3509.4 26.2 25.1 5.9
17 4 4 4 34.699 69.398 1.57126 140.0 1.0 1.0 5.9
18 7 1 0 35.521 71.042 1.53951 756.8 5.6 5.4 5.9
19 3 3 6 37.142 74.284 1.4814 317.9 2.4 2.2 6.0
20 8 0 0 41.096 82.193 1.36075 932.4 7.0 6.5 6.1
21 7 4 1 41.876 83.752 1.33997 508.6 3.8 3.5 6.1
22 6 5 3 43.429 86.857 1.30113 1208.6 9.0 8.3 6.1
23 8 3 1 44.977 89.953 1.26547 1250.2 9.3 8.5 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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