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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ZLATOGORITE
1
CuNiSb(2)
Hexagonal P 3(-)m1 Z = 1
R =0.05 NR =168
23 .5 .1994
Ref.Str.:
Kabalov Yu.K., Sokolova E.V., Spiridonov E.M., Spiridonov F.M. (1994)
* Dokl. RAN, 335, 6, 709-711
Reserv:
Rietveld method. R = R(p)
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.051 alpha = 90.0
b = 4.051 beta = 90.0
c = 5.1382 gamma = 120.0
Unit cell volume (cub. angs.) = 73.02
Molar volume ( cub.cm/mol.) = 43.99
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 0.5 Cu = 1.00
2 0.0 0.0 0.5 0.5 Ni = 1.00
3 0.3333 0.6667 0.2703 0.3 Sb = 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 0.5
3 3 0.3333 0.6667 0.2703
4 3 0.6667 0.3333 0.7297
X-ray density (g/cm cub.) = 8.31
MU (1/cm) = 2180.759 Mass attenuation coefficient (cm**2/g) = 262.293
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.672 6
2.7202 3
2.7199 3
2.7202 3
2.7202 3
2.7199 3
2.7202 3
2 Ni 3.384 6
2.6199 3
2.6196 3
2.6199 3
2.6199 3
2.6196 3
2.6199 3
3 Sb 4.992 12
4.051 3
4.051 3
4.051 3
4.051 3
4.051 3
4.051 3
3.3228 3
3.6311 3
3.3233 3
3.6315 3
3.3228 3
3.6311 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 1 8.622 17.244 0.097 86.06 2 9.3 277.0
2 1 0 0 12.683 25.367 0.143 38.62 6 1.5 9.2
3 1 0 -1 15.418 30.836 0.173 25.5 6 81.3 18953.5
4 1 0 1 15.418 30.836 0.173 25.5 6 63.2 11444.2
5 0 0 2 17.447 34.894 0.195 19.51 2 36.5 976.3
6 1 0 -2 21.816 43.631 0.241 11.89 6 59.0 4651.1
7 1 0 2 21.816 43.631 0.241 11.89 6 91.9 11305.0
8 1 1 0 22.352 44.703 0.247 11.25 6 113.4 16270.6
9 1 1 1 24.128 48.256 0.265 9.46 12 4.5 43.9
10 2 0 0 26.048 52.096 0.285 7.95 6 0.9 0.7
11 0 0 3 26.727 53.454 0.292 7.5 2 30.9 267.7
12 2 0 -1 27.646 55.292 0.301 6.94 6 49.5 1916.3
13 2 0 1 27.646 55.292 0.301 6.94 6 68.1 3626.8
14 1 1 2 28.965 57.929 0.314 6.25 12 30.8 1330.5
15 1 0 -3 30.031 60.062 0.325 5.76 6 60.2 2349.2
16 1 0 3 30.031 60.062 0.325 5.76 6 45.7 1355.4
17 2 0 -2 32.122 64.243 0.345 4.96 6 76.9 3303.0
18 2 0 2 32.122 64.243 0.345 4.96 6 49.0 1342.8
19 2 1 0 35.514 71.028 0.377 4.03 12 0.2 0.1
20 1 1 3 36.084 72.168 0.382 3.9 12 27.6 669.0
21 0 0 4 36.845 73.69 0.389 3.75 2 81.0 921.8
22 2 1 -1 36.865 73.731 0.389 3.75 12 59.9 3024.8
23 2 1 1 36.865 73.731 0.389 3.75 12 41.9 1483.1
24 2 0 -3 38.944 77.888 0.408 3.4 6 40.6 631.2
25 2 0 3 38.944 77.888 0.408 3.4 6 51.7 1022.0
26 1 0 -4 39.686 79.372 0.415 3.29 6 26.9 267.7
27 1 0 4 39.686 79.372 0.415 3.29 6 21.2 167.2
28 2 1 -2 40.822 81.645 0.424 3.16 12 41.8 1244.1
29 2 1 2 40.822 81.645 0.424 3.16 12 66.3 3123.2
30 3 0 0 41.2 82.399 0.428 3.12 6 82.5 2384.8
31 3 0 -1 42.495 84.99 0.438 2.99 6 1.8 1.1
32 3 0 1 42.495 84.99 0.438 2.99 6 1.8 1.0
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 0 1 15.418 30.836 2.89733 30397.7 100.0 100.0 5.6
2 0 0 2 17.447 34.894 2.5691 976.3 3.2 3.2 5.7
3 1 0 2 21.816 43.631 2.07276 15956.0 52.5 51.9 5.7
4 1 1 0 22.352 44.703 2.0255 16270.6 53.5 52.8 5.7
5 2 0 1 27.646 55.292 1.66006 5543.1 18.2 17.8 5.8
6 1 1 2 28.965 57.929 1.5906 1330.5 4.4 4.2 5.8
7 1 0 3 30.031 60.062 1.53911 3704.5 12.2 11.8 5.8
8 2 0 2 32.122 64.243 1.44866 4645.8 15.3 14.7 5.9
9 1 1 3 36.084 72.168 1.30784 669.0 2.2 2.1 5.9
10 2 1 1 36.865 73.731 1.28394 5429.7 17.9 16.9 6.0
11 2 0 3 38.944 77.888 1.22546 1653.2 5.4 5.1 6.0
12 1 0 4 39.686 79.372 1.20624 434.9 1.4 1.3 6.0
13 2 1 2 40.822 81.645 1.17831 4367.4 14.4 13.4 6.1
14 3 0 0 41.2 82.399 1.16942 2384.8 7.8 7.3 6.1
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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