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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NICKELINE
2, t-nickeline, f-nickeline, s-nickeline
NiAs
Hexagonal P 6(3)mc Z = 2
P6(3)mc
7 .10 .14
Ref.Str.:
Ondrus P, Veselovsky F, Gabasova A, Hlousek J,
Srein V, Vavrnn I, Skala R, Sejkora J, Drabek M. (2003)
* J. Czech Geological Soc., 48, 19-147
L: $As1 Co0.01 Ni0.97 S0.02$
R: Locality - Jachymov, Bohemia, Czech Republic. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.619 alpha = 90.0
b = 3.619 beta = 90.0
c = 5.036 gamma = 120.0
Unit cell volume (cub. angs.) = 57.12
Molar volume ( cub.cm/mol.) = 17.2
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 Ni = 0.97, Co = 0.01
2 0.3333 0.6667 0.25 0.0 As = 1.0 , S = 0.02
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.) = 7.74
MU (1/cm) = 797.873 Mass attenuation coefficient (cm**2/g) = 103.143
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ni ,Co 3.228 6
2.4394 2
2.4394 2
2.4394 2
2.4394 2
2.4394 2
2.4394 2
2 As ,S 4.584 12
3.619 2
3.619 2
3.619 2
3.619 2
3.619 2
3.619 2
3.272 2
3.272 2
3.272 2
3.272 2
3.272 2
3.272 2
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 1 0 0 16.582 33.165 0.16 21.79 6 18.1 1315.6
2 1 0 1 19.642 39.285 0.188 15.03 12 46.6 12022.5
3 0 0 2 20.807 41.615 0.199 13.22 2 9.5 73.4
4 1 0 2 27.108 54.216 0.255 7.26 12 64.1 10958.8
5 1 1 0 29.624 59.249 0.276 5.94 6 85.6 7999.0
6 2 0 0 34.805 69.61 0.319 4.19 6 13.1 132.2
7 2 0 1 36.711 73.422 0.334 3.77 12 37.8 1988.1
8 1 0 3 37.19 74.379 0.338 3.68 12 37.6 1920.3
9 1 1 2 37.496 74.993 0.34 3.63 12 9.3 114.2
10 2 0 2 42.244 84.489 0.376 3.02 12 52.5 3056.7
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 1 0 0 16.582 33.165 3.13415 1315.6 10.9 11.0 5.6
2 1 0 1 19.642 39.285 2.66092 12022.5 100.0 100.0 5.7
3 1 0 2 27.108 54.216 1.96296 10958.8 91.2 89.6 5.8
4 1 1 0 29.624 59.249 1.8095 7999.0 66.5 65.0 5.8
5 2 0 0 34.805 69.61 1.56707 132.2 1.1 1.1 5.9
6 2 0 1 36.711 73.422 1.4963 1988.1 16.5 15.8 6.0
7 1 0 3 37.19 74.379 1.47978 1920.3 16.0 15.2 6.0
8 2 0 2 42.244 84.489 1.33046 3056.7 25.4 23.6 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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