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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TRIPUHYITE
1, t-bystromite, g-bystromite
FeSb(2)O(6)
Tetragonal P 4(2)/mnm Z = 2
P4(2)/mnm
21 .4 .1997
Ref.Str.:
Von Heidenstam O. (1968)
* Ark. Kemi, 28, 375-387
Ref.Composition & Lattice:
Povarennyh A. (1966)
* Kristallohim. klassif. miner. vidov (in russian), 247
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.63 alpha = 90.0
b = 4.63 beta = 90.0
c = 9.14 gamma = 90.0
Unit cell volume (cub. angs.) = 195.93
Molar volume ( cub.cm/mol.) = 59.01
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 Fe = 1.00
2 0.0 0.0 0.3329 0.0 Sb = 1.00
3 0.303 0.303 0.0 0.0 O = 1.00
4 0.2986 0.2986 0.3298 0.0 O = 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 0.3329
3 3 0.303 0.303 0.0
4 4 0.2986 0.2986 0.3298
5 3 0.697 0.697 0.0
6 4 0.7014 0.7014 0.3298
7 1 0.5 0.5 0.5
8 2 0.5 0.5 0.8329
9 3 0.197 0.803 0.5
10 4 0.2014 0.7986 0.8298
11 3 0.803 0.197 0.5
12 4 0.7986 0.2014 0.8298
13 2 0.0 0.0 0.6671
14 4 0.2986 0.2986 0.6702
15 4 0.7014 0.7014 0.6702
16 2 0.5 0.5 0.1671
17 4 0.2014 0.7986 0.1702
18 4 0.7986 0.2014 0.1702
X-ray density (g/cm cub.) = 6.7
MU (1/cm) = 1692.182 Mass attenuation coefficient (cm**2/g) = 252.607
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
1.984 3
1.984 3
2.0394 4
2.0394 4
2.0394 4
2.0394 4
2 Sb 2.712 6
1.9554 4
1.9554 4
1.9991 3
1.9991 3
1.9876 4
1.9876 4
3 O 3.264 11
3.0145 4
2.5798 3
2.8119 4
2.8452 4
2.8119 4
2.8452 4
3.0145 4
2.8119 4
2.8452 4
2.8119 4
2.8452 4
4 O 3.264 11
3.0145 3
2.6375 4
2.8452 3
2.8119 3
2.8452 3
2.8119 3
3.1113 4
2.773 4
2.773 4
2.773 4
2.773 4
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 0 0 2 11.287 22.574 0.109 49.32 2 49.7 634.4
2 1 0 1 12.507 25.014 0.121 39.78 8 46.7 1804.6
3 1 1 0 15.855 31.711 0.153 24.01 4 226.4 12815.5
4 1 1 1 16.87 33.741 0.162 20.99 8 0.5 0.1
5 1 1 2 19.638 39.277 0.188 15.03 8 43.0 579.4
6 1 0 3 20.576 41.152 0.196 13.55 8 183.9 9554.1
7 2 0 0 22.729 45.458 0.216 10.84 4 147.1 2444.4
8 0 0 4 23.045 46.089 0.219 10.5 2 36.0 71.1
9 1 1 3 23.643 47.287 0.224 9.91 8 56.5 660.2
10 2 1 0 25.593 51.187 0.241 8.28 8 33.2 189.6
11 2 0 2 25.666 51.332 0.242 8.22 8 38.7 256.3
12 2 1 1 26.291 52.582 0.248 7.78 16 38.8 489.1
13 2 1 2 28.311 56.621 0.265 6.58 16 0.1 0.0
14 1 1 4 28.513 57.027 0.267 6.47 8 36.8 182.6
15 2 1 3 31.487 62.974 0.292 5.19 16 190.1 7807.4
16 1 0 5 31.74 63.48 0.294 5.1 8 38.8 160.2
17 2 2 0 33.122 66.243 0.305 4.65 4 205.4 2043.4
18 2 0 4 33.368 66.736 0.307 4.58 8 37.3 133.0
19 2 2 1 33.718 67.437 0.31 4.48 8 1.0 0.1
20 1 1 5 34.085 68.169 0.313 4.38 8 2.9 0.8
21 2 2 2 35.48 70.959 0.324 4.03 8 38.7 126.0
22 2 1 4 35.659 71.318 0.326 3.99 16 1.9 0.6
23 0 0 6 35.957 71.913 0.328 3.93 2 212.5 924.4
24 3 0 1 35.999 71.998 0.329 3.92 8 34.9 99.3
25 3 1 0 37.656 75.311 0.341 3.6 8 153.9 1776.7
26 3 1 1 38.221 76.443 0.346 3.51 16 0.7 0.1
27 2 2 3 38.338 76.675 0.347 3.49 8 14.6 15.6
28 3 1 2 39.904 79.808 0.359 3.27 16 36.1 177.7
29 1 1 6 40.363 80.725 0.362 3.21 8 163.4 1786.3
30 3 0 3 40.518 81.035 0.363 3.19 8 191.8 2446.6
31 2 1 5 40.746 81.493 0.365 3.17 16 37.0 180.9
32 2 2 4 42.234 84.469 0.376 3.02 8 32.8 67.5
33 3 1 3 42.672 85.343 0.379 2.98 16 21.4 56.7
34 3 2 0 44.151 88.302 0.389 2.88 8 12.8 9.8
35 2 0 6 44.66 89.319 0.393 2.85 8 122.7 892.7
36 3 2 1 44.7 89.399 0.393 2.84 16 34.2 138.7
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 0 0 2 11.287 22.574 4.57 634.4 5.0 5.0 5.6
2 1 0 1 12.507 25.014 4.1303 1804.6 14.1 14.2 5.6
3 1 1 0 15.855 31.711 3.2739 12815.5 100.0 100.0 5.6
4 1 1 2 19.638 39.277 2.66143 579.4 4.5 4.5 5.7
5 1 0 3 20.576 41.152 2.54508 9554.1 74.6 73.9 5.7
6 2 0 0 22.729 45.458 2.315 2444.4 19.1 18.8 5.7
7 1 1 3 23.643 47.287 2.23033 660.2 5.2 5.1 5.7
8 2 1 0 25.593 51.187 2.0706 189.6 1.5 1.5 5.8
9 2 0 2 25.666 51.332 2.06515 256.3 2.0 2.0 5.8
10 2 1 1 26.291 52.582 2.01943 489.1 3.8 3.7 5.8
11 1 1 4 28.513 57.027 1.87375 182.6 1.4 1.4 5.8
12 2 1 3 31.487 62.974 1.71253 7807.4 60.9 58.7 5.9
13 1 0 5 31.74 63.48 1.70028 160.2 1.3 1.2 5.9
14 2 2 0 33.122 66.243 1.63695 2043.4 15.9 15.3 5.9
15 2 0 4 33.368 66.736 1.62624 133.0 1.0 1.0 5.9
16 0 0 6 35.957 71.913 1.52333 924.4 7.2 6.8 5.9
17 3 1 0 37.656 75.311 1.46413 1776.7 13.9 13.1 6.0
18 3 1 2 39.904 79.808 1.39432 177.7 1.4 1.3 6.0
19 1 1 6 40.363 80.725 1.38114 1786.3 13.9 13.0 6.1
20 3 0 3 40.518 81.035 1.37677 2446.6 19.1 17.8 6.1
21 2 1 5 40.746 81.493 1.37037 180.9 1.4 1.3 6.1
22 2 0 6 44.66 89.319 1.27254 892.7 7.0 6.4 6.2
23 3 2 1 44.7 89.399 1.27164 138.7 1.1 1.0 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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