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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FREIBERGITE
3, t-tennantite-tetrahedrite, Ag, f-fahlores, sf-proper-fahlores, s-fahlores
Cu(7.25)Fe(0.84)Zn(1.26)Ag(2.81)Sb(3.88)As(0.12)S(12.88)
Cubic I 4(-)3m Z = 2
R =0.047 NR =1237
28 .5 .1903
Ref.Str.:
Rozhdestvenskaya I.V., Zayakina N.V., Samusikov V.P. (1993)
* Mineral. Zh., v15, 2, 9-17
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.529 alpha = 90.0
b = 10.529 beta = 90.0
c = 10.529 gamma = 90.0
Unit cell volume (cub. angs.) = 1167.24
Molar volume ( cub.cm/mol.) = 351.54
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.25 0.5 0.0 1.38 Cu = 0.68, Zn = 0.21, Fe = 0.14
2 0.2154 0.0 0.0 4.62 Cu = 0.53, Ag = 0.47
3 0.2682 0.2682 0.2682 1.23 Sb = 0.97, As = 0.03
4 0.1203 0.1203 0.3658 1.2 S = 1.00
5 0.0 0.0 0.0 1.2 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.5 0.0
2 2 0.2154 0.0 0.0
3 3 0.2682 0.2682 0.2682
4 4 0.1203 0.1203 0.3658
5 5 0.0 0.0 0.0
6 1 0.25 0.0 0.5
7 2 0.2846 0.5 0.5
8 3 0.2318 0.2318 0.7682
9 4 0.3797 0.3797 0.8658
10 5 0.5 0.5 0.5
11 1 0.5 0.75 0.0
12 1 0.75 0.5 0.0
13 1 0.5 0.25 0.0
14 2 0.0 0.7846 0.0
15 2 0.7846 0.0 0.0
16 2 0.0 0.2154 0.0
17 3 0.2682 0.7318 0.7318
18 3 0.7318 0.7318 0.2682
19 3 0.7318 0.2682 0.7318
20 4 0.1203 0.8797 0.6342
21 4 0.8797 0.8797 0.3658
22 4 0.8797 0.1203 0.6342
23 1 0.0 0.75 0.5
24 1 0.75 0.0 0.5
25 1 0.0 0.25 0.5
26 2 0.5 0.7154 0.5
27 2 0.7154 0.5 0.5
28 2 0.5 0.2846 0.5
29 3 0.2318 0.7682 0.2318
30 3 0.7682 0.7682 0.7682
31 3 0.7682 0.2318 0.2318
32 4 0.3797 0.6203 0.1342
33 4 0.6203 0.6203 0.8658
34 4 0.6203 0.3797 0.1342
35 1 0.5 0.0 0.25
36 2 0.0 0.0 0.2154
37 4 0.1203 0.3658 0.1203
38 4 0.3658 0.1203 0.1203
39 1 0.0 0.5 0.25
40 2 0.5 0.5 0.2846
41 4 0.3797 0.8658 0.3797
42 4 0.8658 0.3797 0.3797
43 1 0.0 0.5 0.75
44 1 0.5 0.0 0.75
45 2 0.0 0.0 0.7846
46 4 0.8797 0.6342 0.1203
47 4 0.6342 0.1203 0.8797
48 4 0.8797 0.3658 0.8797
49 4 0.3658 0.8797 0.8797
50 4 0.1203 0.6342 0.8797
51 4 0.6342 0.8797 0.1203
52 2 0.5 0.5 0.7154
53 4 0.6203 0.1342 0.3797
54 4 0.1342 0.3797 0.6203
55 4 0.6203 0.8658 0.6203
56 4 0.8658 0.6203 0.6203
57 4 0.3797 0.1342 0.6203
58 4 0.1342 0.6203 0.3797
X-ray density (g/cm cub.) = 5.1
MU (1/cm) = 783.79 Mass attenuation coefficient (cm**2/g) = 153.691
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu ,Zn ,Fe 3.36 4
2.3379 4
2.3379 4
2.3379 4
2.3379 4
2 Cu ,Ag 3.54 3
2.2679 5
2.3909 4
2.3909 4
3 Sb ,As 3.264 3
2.4302 4
2.4302 4
2.4302 4
4 S 4.368 10
4.2477 5
3.7952 4
3.5826 4
3.7952 4
3.6556 4
3.6556 4
3.829 4
3.829 4
3.829 4
3.829 4
5 S 4.368 12
4.2477 4
4.2477 4
4.2477 4
4.2477 4
4.2477 4
4.2477 4
4.2477 4
4.2477 4
4.2477 4
4.2477 4
4.2477 4
4.2477 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 1 1 0 5.939 11.877 0.067 183.87 12 72.8 857.9
2 2 0 0 8.413 16.827 0.095 90.48 6 83.3 276.2
3 1 1 2 10.323 20.646 0.116 59.37 24 54.0 305.4
4 2 2 0 11.942 23.884 0.134 43.83 12 157.5 957.8
5 3 1 0 13.376 26.753 0.15 34.52 24 43.2 113.6
6 2 2 2 14.68 29.361 0.165 28.32 8 912.3 13840.5
7 3 2 1 15.886 31.773 0.178 23.9 48 109.1 1003.0
8 4 0 0 17.016 34.031 0.19 20.6 6 581.2 3064.3
9 1 1 4 18.082 36.165 0.201 18.04 24 174.8 970.6
10 3 3 0 18.082 36.165 0.201 18.04 12 108.5 187.1
11 4 2 0 19.097 38.194 0.212 15.99 24 83.0 194.2
12 3 3 2 20.068 40.137 0.223 14.33 24 138.8 486.3
13 2 2 4 21.002 42.004 0.233 12.94 24 77.1 135.7
14 4 3 1 21.903 43.806 0.242 11.78 48 135.5 761.7
15 5 1 0 21.903 43.806 0.242 11.78 24 161.7 542.7
16 5 2 1 23.622 47.244 0.26 9.93 48 144.8 733.3
17 4 4 0 24.447 48.893 0.269 9.19 12 858.0 5956.9
18 3 3 4 25.251 50.501 0.277 8.53 24 123.3 228.4
19 5 3 0 25.251 50.501 0.277 8.53 24 40.1 24.2
20 4 4 2 26.037 52.074 0.285 7.96 24 82.1 94.5
21 6 0 0 26.037 52.074 0.285 7.96 6 20.2 1.4
22 1 1 6 26.806 53.613 0.293 7.45 24 233.1 713.0
23 5 3 2 26.806 53.613 0.293 7.45 48 82.8 179.8
24 6 2 0 27.561 55.122 0.3 6.99 24 122.8 185.8
25 5 4 1 28.302 56.604 0.308 6.58 48 94.7 208.2
26 2 2 6 29.03 58.061 0.315 6.22 24 536.7 3153.4
27 6 3 1 29.748 59.495 0.322 5.88 48 115.3 275.5
28 4 4 4 30.454 60.909 0.329 5.58 8 324.9 346.1
29 5 4 3 31.152 62.303 0.336 5.31 48 94.7 167.9
30 5 5 0 31.152 62.303 0.336 5.31 12 173.6 141.0
31 7 1 0 31.152 62.303 0.336 5.31 24 96.8 87.6
32 6 4 0 31.84 63.68 0.342 5.06 24 3.1 0.1
33 3 3 6 32.52 65.041 0.349 4.83 24 144.7 178.3
34 5 5 2 32.52 65.041 0.349 4.83 24 56.9 27.6
35 7 2 1 32.52 65.041 0.349 4.83 48 16.9 4.8
36 6 4 2 33.193 66.386 0.355 4.63 48 71.8 84.1
37 7 3 0 33.859 67.718 0.362 4.44 24 13.7 1.5
38 6 5 1 35.173 70.346 0.374 4.1 48 113.7 187.0
39 7 3 2 35.173 70.346 0.374 4.1 48 101.2 148.2
40 8 0 0 35.822 71.643 0.38 3.96 6 567.9 562.1
41 1 1 8 36.465 72.931 0.386 3.82 24 146.8 145.2
42 5 5 4 36.465 72.931 0.386 3.82 24 149.9 151.4
43 7 4 1 36.465 72.931 0.386 3.82 48 81.6 89.7
44 4 4 6 37.105 74.21 0.392 3.7 24 28.5 5.3
45 8 2 0 37.105 74.21 0.392 3.7 24 52.4 17.9
46 6 5 3 37.74 75.481 0.397 3.59 48 176.5 393.7
47 2 2 8 38.372 76.744 0.403 3.48 24 16.3 1.6
48 6 6 0 38.372 76.744 0.403 3.48 12 91.1 25.5
49 7 4 3 39.001 78.001 0.409 3.39 48 88.0 92.5
50 7 5 0 39.001 78.001 0.409 3.39 24 50.2 15.0
51 8 3 1 39.001 78.001 0.409 3.39 48 173.1 357.7
52 6 6 2 39.626 79.252 0.414 3.3 24 359.7 752.9
53 7 5 2 40.249 80.498 0.419 3.22 48 114.7 149.5
54 8 4 0 40.87 81.74 0.425 3.15 24 184.8 189.6
55 3 3 8 41.489 82.978 0.43 3.09 24 153.1 127.4
56 9 1 0 41.489 82.978 0.43 3.09 24 51.4 14.3
57 8 4 2 42.106 84.212 0.435 3.03 48 52.2 29.0
58 5 5 6 42.722 85.444 0.44 2.98 24 147.6 114.3
59 7 6 1 42.722 85.444 0.44 2.98 48 109.0 124.5
60 9 2 1 42.722 85.444 0.44 2.98 48 49.8 26.0
61 6 6 4 43.337 86.673 0.445 2.93 24 73.8 28.1
62 7 5 4 43.951 87.901 0.451 2.89 48 113.2 130.5
63 8 5 1 43.951 87.901 0.451 2.89 48 138.0 193.7
64 9 3 0 43.951 87.901 0.451 2.89 24 27.8 3.9
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 1 1 0 5.939 11.877 7.44513 857.9 6.2 6.3 5.6
2 2 0 0 8.413 16.827 5.2645 276.2 2.0 2.0 5.6
3 1 1 2 10.323 20.646 4.29845 305.4 2.2 2.2 5.6
4 2 2 0 11.942 23.884 3.72256 957.8 6.9 6.9 5.6
5 2 2 2 14.68 29.361 3.03946 13840.5 100.0 100.0 5.6
6 3 2 1 15.886 31.773 2.81399 1003.0 7.2 7.2 5.6
7 4 0 0 17.016 34.031 2.63225 3064.3 22.1 22.1 5.7
8 1 1 4 18.082 36.165 2.48171 1157.7 8.4 8.3 5.7
9 4 2 0 19.097 38.194 2.35436 194.2 1.4 1.4 5.7
10 3 3 2 20.068 40.137 2.24479 486.3 3.5 3.5 5.7
11 4 3 1 21.903 43.806 2.06491 1304.4 9.4 9.3 5.7
12 5 2 1 23.622 47.244 1.92232 733.3 5.3 5.2 5.7
13 4 4 0 24.447 48.893 1.86128 5956.9 43.0 42.2 5.7
14 3 3 4 25.251 50.501 1.80571 252.5 1.8 1.8 5.8
15 1 1 6 26.806 53.613 1.70803 892.8 6.5 6.3 5.8
16 6 2 0 27.561 55.122 1.66478 185.8 1.3 1.3 5.8
17 5 4 1 28.302 56.604 1.62466 208.2 1.5 1.5 5.8
18 2 2 6 29.03 58.061 1.58731 3153.4 22.8 22.1 5.8
19 6 3 1 29.748 59.495 1.55242 275.5 2.0 1.9 5.8
20 4 4 4 30.454 60.909 1.51973 346.1 2.5 2.4 5.8
21 5 4 3 31.152 62.303 1.48903 396.5 2.9 2.8 5.8
22 3 3 6 32.52 65.041 1.43282 210.8 1.5 1.5 5.9
23 6 5 1 35.173 70.346 1.33718 335.2 2.4 2.3 5.9
24 8 0 0 35.822 71.643 1.31613 562.1 4.1 3.8 5.9
25 5 5 4 36.465 72.931 1.29603 386.3 2.8 2.6 6.0
26 6 5 3 37.74 75.481 1.25846 393.7 2.8 2.7 6.0
27 8 3 1 39.001 78.001 1.22397 465.2 3.4 3.1 6.0
28 6 6 2 39.626 79.252 1.20776 752.9 5.4 5.1 6.0
29 7 5 2 40.249 80.498 1.19217 149.5 1.1 1.0 6.0
30 8 4 0 40.87 81.74 1.17718 189.6 1.4 1.3 6.1
31 3 3 8 41.489 82.978 1.16273 141.7 1.0 0.9 6.1
32 7 6 1 42.722 85.444 1.13537 264.7 1.9 1.8 6.1
33 8 5 1 43.951 87.901 1.10985 328.0 2.4 2.2 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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