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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DRIEKOPITE
1, t-nickeline
PtBi
Hexagonal P 6(3)/mmc Z = 2
P6(3)/mmc
7 .2 .23
Ref.Str.:
McDonald A.M., Tamura N., Cabri L.J., Melcher F. (2022)
* Eur. J. Mineral., 34, ht tps://doi.org/10.5194/ejm-34-591-2022
R: ATOMIC. IMA 2022-058. Locality - Driekop mine, eastern limb
of the Bushveld complex, South Africa. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.1993 alpha = 90.0
b = 4.1993 beta = 90.0
c = 5.6194 gamma = 120.0
Unit cell volume (cub. angs.) = 85.82
Molar volume ( cub.cm/mol.) = 25.85
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 Pt = 1.00
2 0.3333 0.6667 0.25 0.0 Bi = 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 0.3333 0.6667 0.25
3 1 0.0 0.0 0.5
4 2 0.6667 0.3333 0.75
X-ray density (g/cm cub.) = 15.63
MU (1/cm) = 3449.833 Mass attenuation coefficient (cm**2/g) = 220.688
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pt 4.212 14
4.1993 1
4.1993 1
4.1993 1
4.1993 1
4.1993 1
4.1993 1
2.8022 2
2.8019 2
2.8022 2
2.8097 1
2.8097 1
2.8022 2
2.8019 2
2.8022 2
2 Bi 5.112 28
4.8622 1
2.8022 1
5.0486 1
4.862 1
2.8019 1
4.8622 1
2.8022 1
5.0482 1
4.1993 2
4.1993 2
4.1993 2
4.1993 2
4.1993 2
4.1993 2
2.8022 1
4.8622 1
5.0486 1
2.8019 1
4.862 1
2.8022 1
4.8622 1
5.0482 1
3.711 2
3.711 2
3.7114 2
3.7114 2
3.711 2
3.711 2
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 0 0 12.228 24.457 0.137 41.71 6 61.7 12914.9
2 1 0 1 14.613 29.227 0.164 28.6 12 118.6 65567.6
3 0 0 2 15.911 31.823 0.178 23.82 2 8.8 49.7
4 1 0 2 20.27 40.539 0.225 14.01 12 181.6 75326.1
5 1 1 0 21.522 43.044 0.238 12.25 6 240.9 57954.2
6 2 0 0 25.063 50.126 0.275 8.68 6 50.9 1830.1
7 2 0 1 26.439 52.877 0.289 7.69 12 101.4 12877.9
8 1 1 2 27.257 54.514 0.297 7.17 12 8.7 87.7
9 1 0 3 27.553 55.106 0.3 7.0 12 100.0 11404.6
10 2 0 2 30.304 60.608 0.328 5.64 12 158.8 23196.2
11 0 0 4 33.25 66.501 0.356 4.61 2 206.8 5352.1
12 2 1 0 34.083 68.165 0.364 4.38 12 44.9 1435.0
13 2 1 1 35.234 70.467 0.374 4.09 24 91.0 11045.7
14 1 0 4 36.0 72.001 0.382 3.92 12 43.8 1222.8
15 2 0 3 36.184 72.369 0.383 3.88 12 90.0 5121.9
16 2 1 2 38.598 77.196 0.405 3.45 24 143.5 23132.2
17 3 0 0 39.451 78.903 0.412 3.33 6 192.2 10008.6
18 3 0 1 40.545 81.089 0.422 3.19 12 0.1 0.0
19 1 1 4 41.278 82.556 0.428 3.11 12 188.3 17968.3
20 3 0 2 43.792 87.584 0.449 2.9 12 8.0 29.9
21 2 0 4 43.859 87.717 0.45 2.89 12 39.8 747.6
22 2 1 3 44.034 88.068 0.451 2.88 24 82.7 6418.5
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 0 0 12.228 24.457 3.6367 12914.9 17.1 17.4 5.6
2 1 0 1 14.613 29.227 3.05311 65567.6 87.0 87.9 5.6
3 1 0 2 20.27 40.539 2.22341 75326.1 100.0 100.0 5.7
4 1 1 0 21.522 43.044 2.09965 57954.2 76.9 76.7 5.7
5 2 0 0 25.063 50.126 1.81835 1830.1 2.4 2.4 5.7
6 2 0 1 26.439 52.877 1.73003 12877.9 17.1 16.9 5.8
7 1 0 3 27.553 55.106 1.66523 11404.6 15.1 14.9 5.8
8 2 0 2 30.304 60.608 1.52656 23196.2 30.8 30.0 5.8
9 0 0 4 33.25 66.501 1.40485 5352.1 7.1 6.9 5.9
10 2 1 0 34.083 68.165 1.37454 1435.0 1.9 1.8 5.9
11 2 1 1 35.234 70.467 1.33518 11045.7 14.7 14.1 5.9
12 1 0 4 36.0 72.001 1.31047 1222.8 1.6 1.6 5.9
13 2 0 3 36.184 72.369 1.30471 5121.9 6.8 6.5 5.9
14 2 1 2 38.598 77.196 1.23471 23132.2 30.7 29.1 6.0
15 3 0 0 39.451 78.903 1.21223 10008.6 13.3 12.5 6.0
16 1 1 4 41.278 82.556 1.1676 17968.3 23.9 22.3 6.1
17 2 1 3 44.034 88.068 1.10818 6418.5 8.5 7.9 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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