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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TAPIOLITE-(FE)
2, t-bystromite
(Fe,Ta)(Ta,Fe)(2)O(6)
Tetragonal P 4(2)/mnm Z = 2
P4(2)/mnm
9 .6 .16
Ref.Str.:
Zema M., Tarantino S.C., Giorgiani A. (2006)
* Mineral. Mag., 70, 319-328
L: $Fe1 Ta1.87 Nb0.13 O6$
R: Locality - Kimito, Finland.
Crystal Kim5_q0, untreated. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.7533 alpha = 90.0
b = 4.7533 beta = 90.0
c = 9.2773 gamma = 90.0
Unit cell volume (cub. angs.) = 209.61
Molar volume ( cub.cm/mol.) = 63.13
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 = 0.52, Ta = 0.48
2 0.0 0.0 0.3326 0.0 Ta = 0.7 , Fe = 0.24, Nb = 0.06
3 0.3041 0.3041 0.0 0.0 O = 1.00
4 0.2985 0.2985 0.3304 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 0.3326
3 3 0.3041 0.3041 0.0
4 4 0.2985 0.2985 0.3304
5 3 0.6959 0.6959 0.0
6 4 0.7015 0.7015 0.3304
7 1 0.5 0.5 0.5
8 2 0.5 0.5 0.8326
9 3 0.1959 0.8041 0.5
10 4 0.2015 0.7985 0.8304
11 3 0.8041 0.1959 0.5
12 4 0.7985 0.2015 0.8304
13 2 0.0 0.0 0.6674
14 4 0.2985 0.2985 0.6696
15 4 0.7015 0.7015 0.6696
16 2 0.5 0.5 0.1674
17 4 0.2015 0.7985 0.1696
18 4 0.7985 0.2015 0.1696
X-ray density (g/cm cub.) = 7.96
MU (1/cm) = 1425.477 Mass attenuation coefficient (cm**2/g) = 179.175
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Ta 2.592 6
2.0442 3
2.0442 3
2.0762 4
2.0762 4
2.0762 4
2.0762 4
2 Ta ,Fe ,Nb 2.592 6
2.0067 4
2.0067 4
2.0364 3
2.0364 3
2.0299 4
2.0299 4
3 O 3.264 11
3.0655 4
2.6338 3
2.8699 4
2.9136 4
2.8699 4
2.9136 4
3.0655 4
2.8699 4
2.9136 4
2.8699 4
2.9136 4
4 O 3.264 11
3.0655 3
2.709 4
2.9136 3
2.8699 3
2.9136 3
2.8699 3
3.1469 4
2.8437 4
2.8437 4
2.8437 4
2.8437 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 11.118 22.236 0.108 50.89 2 25.3 147.9
2 1 0 1 12.207 24.413 0.118 41.86 8 21.7 360.0
3 1 1 0 15.434 30.867 0.149 25.44 4 304.6 21484.9
4 1 1 1 16.442 32.884 0.158 22.19 8 0.2 0.0
5 1 1 2 19.186 38.372 0.184 15.83 8 21.6 134.3
6 1 0 3 20.186 40.372 0.193 14.14 8 260.0 17406.6
7 2 0 0 22.108 44.216 0.21 11.53 4 222.8 5211.7
8 0 0 4 22.684 45.369 0.216 10.88 2 13.6 9.2
9 1 1 3 23.144 46.288 0.22 10.4 8 57.3 621.6
10 2 1 0 24.884 49.767 0.235 8.82 8 34.0 185.4
11 2 0 2 25.016 50.033 0.236 8.72 8 19.0 57.5
12 2 1 1 25.574 51.148 0.241 8.29 16 18.0 98.4
13 2 1 2 27.571 55.143 0.259 6.99 16 0.2 0.0
14 1 1 4 27.941 55.882 0.262 6.78 8 15.2 28.6
15 2 1 3 30.704 61.408 0.285 5.48 16 263.4 13849.6
16 1 0 5 31.164 62.329 0.289 5.31 8 21.9 46.3
17 2 2 0 32.157 64.314 0.298 4.95 4 278.7 3503.6
18 2 0 4 32.606 65.212 0.301 4.81 8 16.4 23.4
19 2 2 1 32.745 65.491 0.302 4.76 8 1.3 0.1
20 1 1 5 33.411 66.823 0.308 4.56 8 2.6 0.6
21 2 2 2 34.479 68.957 0.316 4.27 8 21.1 34.7
22 2 1 4 34.804 69.608 0.319 4.19 16 1.8 0.5
23 3 0 1 34.939 69.878 0.32 4.16 8 15.9 19.2
24 0 0 6 35.344 70.688 0.323 4.06 2 283.6 1488.1
25 3 1 0 36.517 73.035 0.333 3.81 8 224.2 3491.0
26 3 1 1 37.073 74.145 0.337 3.71 16 1.0 0.1
27 2 2 3 37.283 74.567 0.339 3.67 8 15.2 15.4
28 3 1 2 38.721 77.442 0.35 3.43 16 19.2 46.3
29 3 0 3 39.369 78.738 0.355 3.34 8 262.1 4175.3
30 1 1 6 39.551 79.101 0.356 3.31 8 232.1 3250.6
31 2 1 5 39.783 79.565 0.358 3.28 16 21.0 52.8
32 2 2 4 41.093 82.185 0.367 3.13 8 14.2 11.5
33 3 1 3 41.425 82.85 0.37 3.09 16 21.8 53.3
34 3 2 0 42.725 85.45 0.379 2.98 8 13.1 9.3
35 3 2 1 43.259 86.518 0.383 2.93 16 16.7 29.7
36 2 0 6 43.641 87.281 0.386 2.91 8 189.1 1893.3
37 1 0 7 44.478 88.957 0.392 2.86 8 13.4 9.4
38 3 2 2 44.858 89.716 0.394 2.84 16 0.5 0.0
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 0 1 12.207 24.413 4.23036 360.0 1.7 1.7 5.6
2 1 1 0 15.434 30.867 3.36109 21484.9 100.0 100.0 5.6
3 1 0 3 20.186 40.372 2.59214 17406.6 81.0 80.3 5.7
4 2 0 0 22.108 44.216 2.37665 5211.7 24.3 23.9 5.7
5 1 1 3 23.144 46.288 2.27574 621.6 2.9 2.8 5.7
6 2 1 3 30.704 61.408 1.75178 13849.6 64.5 62.3 5.8
7 2 2 0 32.157 64.314 1.68055 3503.6 16.3 15.7 5.9
8 0 0 6 35.344 70.688 1.54622 1488.1 6.9 6.6 5.9
9 3 1 0 36.517 73.035 1.50313 3491.0 16.2 15.4 6.0
10 3 0 3 39.369 78.738 1.41012 4175.3 19.4 18.2 6.0
11 1 1 6 39.551 79.101 1.4047 3250.6 15.1 14.1 6.0
12 2 0 6 43.641 87.281 1.29607 1893.3 8.8 8.1 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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