Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
STIBIOUSTALECITE
1, t-tennantite-tetrahedrite, s-giraudite, DN
Cu'(6)Cu'(6)[Te(2)Sb(2)]Se(13)
Cubic I 4(-)3m Z = 2
I4(-)3m
28 .2 .23
Ref.Str.:
Sejkora J., Plasil J., Makovicky E. (2022)
* J. Geoscieces, 67, 275-283, DOI:10.3190/jgeosci.359
L: $Cu1+11.68 Ag0.25 Hg0.04 Zn0.03 Fe0.02 Te2.12 Sb1.68 As0.20
Se10.36 S2.55$
R: Locality - Ustalec, Nalzovske Hory, Klatovy District, Plzen Region,
Czech Republic. IMA2021-071
The coordinates of atoms are from POSEPNYITE [1]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.828 alpha = 90.0
b = 10.828 beta = 90.0
c = 10.828 gamma = 90.0
Unit cell volume (cub. angs.) = 1269.54
Molar volume ( cub.cm/mol.) = 382.34
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 0.0 Cu = 1.00
2 0.5 0.5 0.2959 0.0 Cu = 0.96, Ag = 0.04
3 0.235 0.765 0.235 0.0 Te = 0.53, Sb = 0.42, As = 0.05
4 0.3876 0.6124 0.1476 0.0 Se = 0.8 , S = 0.2
5 0.5 0.5 0.5 0.0 Se = 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 0.5 0.5 0.2959
3 3 0.235 0.765 0.235
4 4 0.3876 0.6124 0.1476
5 5 0.5 0.5 0.5
6 1 0.25 0.0 0.5
7 2 0.0 0.0 0.7959
8 3 0.265 0.735 0.735
9 4 0.1124 0.8876 0.6476
10 5 0.0 0.0 0.0
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 0.5 0.5 0.7041
15 3 0.765 0.765 0.765
16 3 0.765 0.235 0.235
17 3 0.235 0.235 0.765
18 4 0.6124 0.6124 0.8524
19 4 0.6124 0.3876 0.1476
20 4 0.3876 0.3876 0.8524
21 1 0.0 0.75 0.5
22 1 0.75 0.0 0.5
23 1 0.0 0.25 0.5
24 2 0.0 0.0 0.2041
25 3 0.735 0.735 0.265
26 3 0.735 0.265 0.735
27 3 0.265 0.265 0.265
28 4 0.8876 0.8876 0.3524
29 4 0.8876 0.1124 0.6476
30 4 0.1124 0.1124 0.3524
31 1 0.5 0.0 0.25
32 2 0.5 0.2959 0.5
33 2 0.2959 0.5 0.5
34 4 0.6124 0.1476 0.3876
35 4 0.1476 0.3876 0.6124
36 1 0.0 0.5 0.25
37 2 0.0 0.7959 0.0
38 2 0.7959 0.0 0.0
39 4 0.8876 0.6476 0.1124
40 4 0.6476 0.1124 0.8876
41 1 0.0 0.5 0.75
42 1 0.5 0.0 0.75
43 2 0.5 0.7041 0.5
44 2 0.7041 0.5 0.5
45 4 0.6124 0.8524 0.6124
46 4 0.8524 0.6124 0.6124
47 4 0.3876 0.1476 0.6124
48 4 0.1476 0.6124 0.3876
49 4 0.3876 0.8524 0.3876
50 4 0.8524 0.3876 0.3876
51 2 0.0 0.2041 0.0
52 2 0.2041 0.0 0.0
53 4 0.8876 0.3524 0.8876
54 4 0.3524 0.8876 0.8876
55 4 0.1124 0.6476 0.8876
56 4 0.6476 0.8876 0.1124
57 4 0.1124 0.3524 0.1124
58 4 0.3524 0.1124 0.1124
X-ray density (g/cm cub.) = 5.69
MU (1/cm) = 683.31 Mass attenuation coefficient (cm**2/g) = 120.015
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.492 4
2.5011 4
2.5011 4
2.5011 4
2.5011 4
2 Cu ,Ag 3.672 3
2.3539 4
2.21 5
2.3539 4
3 Te ,Sb ,As 3.396 3
2.5214 4
2.5214 4
2.5214 4
4 Se ,S 4.632 10
4.186 5
4.0177 4
3.4424 4
4.0177 4
3.6751 4
3.6751 4
4.1171 4
4.1171 4
4.1171 4
4.1171 4
5 Se 4.632 12
4.186 4
4.186 4
4.186 4
4.186 4
4.186 4
4.186 4
4.186 4
4.186 4
4.186 4
4.186 4
4.186 4
4.186 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 5.774 11.548 0.065 194.63 12 55.5 446.9
2 2 0 0 8.18 16.359 0.092 95.86 6 73.5 192.5
3 1 1 2 10.035 20.07 0.113 62.95 24 91.7 787.8
4 2 2 0 11.608 23.215 0.131 46.51 12 220.5 1683.6
5 3 1 0 13.0 26.001 0.146 36.66 24 130.1 923.7
6 2 2 2 14.266 28.533 0.16 30.11 8 987.6 14574.7
7 3 2 1 15.437 30.873 0.173 25.43 48 155.4 1829.0
8 4 0 0 16.532 33.064 0.185 21.93 6 355.8 1033.7
9 1 1 4 17.566 35.133 0.196 19.22 24 254.4 1852.0
10 3 3 0 17.566 35.133 0.196 19.22 12 197.4 557.5
11 4 2 0 18.55 37.101 0.207 17.05 24 96.0 233.8
12 3 3 2 19.491 38.983 0.217 15.29 24 162.6 601.8
13 2 2 4 20.396 40.792 0.226 13.82 24 130.1 348.3
14 4 3 1 21.268 42.536 0.235 12.58 48 166.8 1042.1
15 5 1 0 21.268 42.536 0.235 12.58 24 166.3 518.2
16 5 2 1 22.932 45.864 0.253 10.62 48 272.4 2347.1
17 4 4 0 23.729 47.459 0.261 9.83 12 1147.9 9643.7
18 3 3 4 24.507 49.014 0.269 9.14 24 195.1 518.0
19 5 3 0 24.507 49.014 0.269 9.14 24 37.9 19.6
20 4 4 2 25.266 50.533 0.277 8.52 24 118.8 179.0
21 6 0 0 25.266 50.533 0.277 8.52 6 52.8 8.8
22 1 1 6 26.01 52.019 0.285 7.98 24 418.6 2081.6
23 5 3 2 26.01 52.019 0.285 7.98 48 92.2 202.1
24 6 2 0 26.738 53.476 0.292 7.49 24 250.2 698.5
25 5 4 1 27.453 54.907 0.299 7.05 48 120.3 304.1
26 2 2 6 28.156 56.312 0.306 6.66 24 657.1 4282.3
27 6 3 1 28.847 57.695 0.313 6.31 48 72.3 98.2
28 4 4 4 29.529 59.057 0.32 5.98 8 258.3 198.2
29 5 4 3 30.2 60.4 0.327 5.69 48 166.6 470.3
30 5 5 0 30.2 60.4 0.327 5.69 12 374.0 592.3
31 7 1 0 30.2 60.4 0.327 5.69 24 129.7 142.4
32 6 4 0 30.863 61.725 0.333 5.42 24 58.7 27.8
33 3 3 6 31.517 63.034 0.339 5.18 24 166.0 212.3
34 5 5 2 31.517 63.034 0.339 5.18 24 133.0 136.4
35 7 2 1 31.517 63.034 0.339 5.18 48 35.7 19.6
36 6 4 2 32.164 64.328 0.346 4.95 48 116.8 201.3
37 7 3 0 32.804 65.608 0.352 4.74 24 44.0 13.7
38 6 5 1 34.065 68.131 0.364 4.38 48 106.6 148.4
39 7 3 2 34.065 68.131 0.364 4.38 48 114.6 171.4
40 8 0 0 34.688 69.375 0.369 4.22 6 849.9 1135.0
41 1 1 8 35.305 70.61 0.375 4.07 24 115.5 80.8
42 5 5 4 35.305 70.61 0.375 4.07 24 163.8 162.7
43 7 4 1 35.305 70.61 0.375 4.07 48 153.4 285.5
44 4 4 6 35.917 71.835 0.381 3.94 24 51.3 15.4
45 8 2 0 35.917 71.835 0.381 3.94 24 106.3 66.3
46 6 5 3 36.526 73.051 0.386 3.81 48 347.4 1369.6
47 2 2 8 37.13 74.26 0.392 3.7 24 62.2 21.3
48 6 6 0 37.13 74.26 0.392 3.7 12 172.5 81.9
49 7 4 3 37.731 75.461 0.397 3.59 48 171.0 312.5
50 7 5 0 37.731 75.461 0.397 3.59 24 77.8 32.3
51 8 3 1 37.731 75.461 0.397 3.59 48 305.2 995.9
52 6 6 2 38.328 76.656 0.403 3.49 24 494.2 1269.7
53 7 5 2 38.923 77.845 0.408 3.4 48 181.5 333.5
54 8 4 0 39.515 79.029 0.413 3.32 24 218.1 235.1
55 3 3 8 40.104 80.208 0.418 3.24 24 269.6 350.8
56 9 1 0 40.104 80.208 0.418 3.24 24 184.4 164.1
57 8 4 2 40.692 81.383 0.423 3.17 48 138.3 180.7
58 5 5 6 41.277 82.555 0.428 3.11 24 359.6 598.5
59 7 6 1 41.277 82.555 0.428 3.11 48 196.9 358.8
60 9 2 1 41.277 82.555 0.428 3.11 48 73.3 49.7
61 6 6 4 41.861 83.723 0.433 3.05 24 237.0 255.1
62 7 5 4 42.444 84.888 0.438 3.0 48 147.9 195.4
63 8 5 1 42.444 84.888 0.438 3.0 48 246.1 540.9
64 9 3 0 42.444 84.888 0.438 3.0 24 5.0 0.1
65 7 6 3 43.607 87.214 0.448 2.91 48 168.0 244.5
66 9 3 2 43.607 87.214 0.448 2.91 48 160.7 223.7
67 4 4 8 44.187 88.374 0.452 2.87 24 603.6 1558.6
68 7 7 0 44.767 89.534 0.457 2.84 12 51.9 5.7
69 8 5 3 44.767 89.534 0.457 2.84 48 150.1 190.7
70 9 4 1 44.767 89.534 0.457 2.84 48 83.5 59.0
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 1 1 0 5.774 11.548 7.65655 446.9 3.1 3.1 5.6
2 2 0 0 8.18 16.359 5.414 192.5 1.3 1.3 5.6
3 1 1 2 10.035 20.07 4.42051 787.8 5.4 5.4 5.6
4 2 2 0 11.608 23.215 3.82828 1683.6 11.6 11.6 5.6
5 3 1 0 13.0 26.001 3.42411 923.7 6.3 6.4 5.6
6 2 2 2 14.266 28.533 3.12577 14574.7 100.0 100.0 5.6
7 3 2 1 15.437 30.873 2.8939 1829.0 12.5 12.5 5.6
8 4 0 0 16.532 33.064 2.707 1033.7 7.1 7.1 5.6
9 1 1 4 17.566 35.133 2.55218 2409.5 16.5 16.4 5.7
10 4 2 0 18.55 37.101 2.42121 233.8 1.6 1.6 5.7
11 3 3 2 19.491 38.983 2.30854 601.8 4.1 4.1 5.7
12 2 2 4 20.396 40.792 2.21026 348.3 2.4 2.4 5.7
13 4 3 1 21.268 42.536 2.12355 1560.2 10.7 10.6 5.7
14 5 2 1 22.932 45.864 1.97691 2347.1 16.1 15.8 5.7
15 4 4 0 23.729 47.459 1.91414 9643.7 66.2 65.0 5.7
16 3 3 4 24.507 49.014 1.85699 537.6 3.7 3.6 5.7
17 4 4 2 25.266 50.533 1.80467 187.8 1.3 1.3 5.8
18 1 1 6 26.01 52.019 1.75653 2283.8 15.7 15.3 5.8
19 6 2 0 26.738 53.476 1.71206 698.5 4.8 4.7 5.8
20 5 4 1 27.453 54.907 1.6708 304.1 2.1 2.0 5.8
21 2 2 6 28.156 56.312 1.63238 4282.3 29.4 28.5 5.8
22 4 4 4 29.529 59.057 1.56289 198.2 1.4 1.3 5.8
23 5 5 0 30.2 60.4 1.53131 1205.1 8.3 8.0 5.8
24 3 3 6 31.517 63.034 1.4735 368.3 2.5 2.4 5.9
25 6 4 2 32.164 64.328 1.44695 201.3 1.4 1.3 5.9
26 7 3 2 34.065 68.131 1.37516 319.8 2.2 2.1 5.9
27 8 0 0 34.688 69.375 1.3535 1135.0 7.8 7.4 5.9
28 7 4 1 35.305 70.61 1.33283 529.0 3.6 3.4 5.9
29 6 5 3 36.526 73.051 1.29419 1369.6 9.4 8.9 6.0
30 8 3 1 37.731 75.461 1.25873 1340.8 9.2 8.7 6.0
31 6 6 2 38.328 76.656 1.24206 1269.7 8.7 8.2 6.0
32 7 5 2 38.923 77.845 1.22603 333.5 2.3 2.1 6.0
33 8 4 0 39.515 79.029 1.21061 235.1 1.6 1.5 6.0
34 3 3 8 40.104 80.208 1.19575 514.9 3.5 3.3 6.0
35 8 4 2 40.692 81.383 1.18143 180.7 1.2 1.2 6.1
36 5 5 6 41.277 82.555 1.16761 1007.0 6.9 6.4 6.1
37 6 6 4 41.861 83.723 1.15427 255.1 1.8 1.6 6.1
38 8 5 1 42.444 84.888 1.14137 736.5 5.1 4.7 6.1
39 7 6 3 43.607 87.214 1.11682 468.2 3.2 2.9 6.2
40 4 4 8 44.187 88.374 1.10513 1558.6 10.7 9.8 6.2
41 9 4 1 44.767 89.534 1.09379 255.4 1.8 1.6 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)
|