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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SKIPPENITE
2, f-guanajuatite, g-paraguanajuatite
Bi(2)Se(2)Te
Hexagonal R 3(-)m Z = 3
R =0.0293 NR =125
6 .7 .1905
Ref.Str.:
L. Bindi, C. Cupriani (2004)
* Canad. Mineral., 41, 835-840
Reserv:
There are U(ij) in the article. The specimen from The Kochkar
deposit, southern Urals, Russia. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.183 alpha = 90.0
b = 4.183 beta = 90.0
c = 29.137 gamma = 120.0
Unit cell volume (cub. angs.) = 441.52
Molar volume ( cub.cm/mol.) = 88.65
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 Te = 1.00
2 0.0 0.0 0.398 0.0 Bi = 1.00
3 0.0 0.0 0.2116 0.0 Se = 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 0.0 0.0 0.398
3 3 0.0 0.0 0.2116
4 1 0.6667 0.3333 0.3333
5 1 0.3333 0.6667 0.6667
6 2 0.6667 0.3333 0.7313
7 2 0.3333 0.6667 0.0647
8 3 0.6667 0.3333 0.5449
9 3 0.3333 0.6667 0.8783
10 2 0.0 0.0 0.602
11 3 0.0 0.0 0.7884
12 2 0.3333 0.6667 0.2687
13 2 0.6667 0.3333 0.9353
14 3 0.3333 0.6667 0.4551
15 3 0.6667 0.3333 0.1217
X-ray density (g/cm cub.) = 7.93
MU (1/cm) = 1700.085 Mass attenuation coefficient (cm**2/g) = 214.26
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Te 5.064 12
4.183 1
4.183 1
4.183 1
4.183 1
4.183 1
4.183 1
4.2912 3
4.2912 3
4.2912 3
4.2912 3
4.2912 3
4.2912 3
2 Bi 3.972 6
3.0632 1
3.0632 1
3.0632 1
2.9322 3
2.9322 3
2.9321 3
3 Se 4.848 12
4.183 3
4.183 3
4.183 3
4.183 3
4.183 3
4.183 3
4.291 1
4.291 1
4.291 1
3.562 3
3.562 3
3.562 3
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 0 0 3 4.549 9.098 0.051 314.98 2 181.9 10690.6
2 0 0 6 9.127 18.253 0.103 76.56 2 215.9 3662.1
3 1 0 1 12.373 24.745 0.139 40.69 6 162.4 3301.8
4 1 0 -2 12.657 25.313 0.142 38.79 6 102.9 1263.8
5 1 0 4 13.738 27.475 0.154 32.62 6 119.5 1433.8
6 0 0 9 13.764 27.529 0.154 32.49 2 90.0 269.7
7 1 0 -5 14.499 28.999 0.163 29.08 6 697.2 43508.5
8 1 0 7 16.373 32.745 0.183 22.4 6 57.1 225.0
9 1 0 -8 17.452 34.903 0.195 19.49 6 228.6 3135.8
10 0 0 12 18.496 36.992 0.206 17.16 2 35.7 22.4
11 1 0 10 19.832 39.664 0.22 14.71 6 613.2 17023.7
12 1 0 -11 21.115 42.231 0.234 12.79 6 222.8 1953.9
13 1 1 0 21.61 43.22 0.239 12.14 6 638.3 15222.7
14 1 1 3 22.131 44.263 0.245 11.51 12 147.3 1537.9
15 0 0 15 23.363 46.725 0.257 10.18 2 538.9 3033.3
16 1 1 6 23.64 47.281 0.26 9.91 12 181.7 2015.4
17 1 0 13 23.837 47.674 0.262 9.73 6 280.8 2361.8
18 2 0 -1 25.219 50.439 0.277 8.56 6 142.0 530.8
19 1 0 -14 25.267 50.535 0.277 8.52 6 74.8 146.6
20 2 0 2 25.375 50.75 0.278 8.44 6 89.0 205.7
21 2 0 -4 25.99 51.98 0.284 7.99 6 108.0 286.7
22 1 1 9 26.006 52.011 0.285 7.98 12 84.3 349.4
23 2 0 5 26.445 52.889 0.289 7.68 6 587.4 8156.8
24 2 0 -7 27.632 55.263 0.301 6.95 6 51.1 56.0
25 1 0 16 28.257 56.513 0.307 6.61 6 225.9 1038.0
26 2 0 8 28.356 56.712 0.308 6.55 6 197.4 786.2
27 0 0 18 28.415 56.83 0.309 6.52 2 330.3 730.2
28 1 1 12 29.084 58.167 0.316 6.19 12 32.4 39.9
29 1 0 -17 29.814 59.628 0.323 5.85 6 30.7 17.0
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 0 0 3 4.549 9.098 9.71233 10690.6 24.6 24.9 5.6
2 0 0 6 9.127 18.253 4.85617 3662.1 8.4 8.5 5.6
3 1 0 1 12.373 24.745 3.59491 3301.8 7.6 7.6 5.6
4 1 0 2 12.657 25.313 3.51553 1263.8 2.9 2.9 5.6
5 1 0 4 13.738 27.475 3.24361 1703.6 3.9 3.9 5.6
6 1 0 5 14.499 28.999 3.07657 43508.5 100.0 100.0 5.6
7 1 0 8 17.452 34.903 2.56843 3135.8 7.2 7.2 5.7
8 1 0 10 19.832 39.664 2.27043 17023.7 39.1 38.8 5.7
9 1 0 11 21.115 42.231 2.1382 1953.9 4.5 4.4 5.7
10 1 1 0 21.61 43.22 2.0915 15222.7 35.0 34.5 5.7
11 1 1 3 22.131 44.263 2.04463 1537.9 3.5 3.5 5.7
12 0 0 15 23.363 46.725 1.94247 3033.3 7.0 6.9 5.7
13 1 1 6 23.64 47.281 1.92092 2015.4 4.6 4.6 5.7
14 1 0 13 23.837 47.674 1.906 2361.8 5.4 5.3 5.7
15 2 0 1 25.219 50.439 1.8078 530.8 1.2 1.2 5.8
16 1 1 9 26.006 52.011 1.75678 636.1 1.5 1.4 5.8
17 2 0 5 26.445 52.889 1.72967 8156.8 18.7 18.3 5.8
18 1 0 16 28.257 56.513 1.62705 1038.0 2.4 2.3 5.8
19 2 0 8 28.356 56.712 1.62181 786.2 1.8 1.8 5.8
20 0 0 18 28.415 56.83 1.61872 730.2 1.7 1.6 5.8
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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