Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
NISNITE
1
Ni(3)Sn
Cubic P 432 Z = 1
R =0.0080 NR =30
15 .8 .11
Ref.Str.:
Rowe R., Grice J.D., Poirier G., Stanley C.J., Horvath L. (2011)
* Canad. Mineral., 49, 651-656
R: from effrey mine, Asbestos, Quebec, Canada.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.7349 alpha = 90.0
b = 3.7349 beta = 90.0
c = 3.7349 gamma = 90.0
Unit cell volume (cub. angs.) = 52.1
Molar volume ( cub.cm/mol.) = 31.38
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.5 0.5 0.0 Ni = 1.00
2 0.0 0.0 0.0 0.0 Sn = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.5 0.5
2 2 0.0 0.0 0.0
3 1 0.5 0.0 0.5
4 1 0.5 0.5 0.0
X-ray density (g/cm cub.) = 9.39
MU (1/cm) = 1806.135 Mass attenuation coefficient (cm**2/g) = 192.294
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ni 2.976 8
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
2 Sn 2.712 12
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
2.641 1
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 13.856 27.713 0.134 32.03 6 19.7 2756.8
2 1 1 0 19.797 39.594 0.189 14.77 12 18.4 2212.6
3 1 1 1 24.507 49.014 0.232 9.13 8 101.5 27762.1
4 2 0 0 28.618 57.237 0.268 6.42 6 95.9 13042.3
5 2 1 0 32.378 64.757 0.299 4.88 24 16.1 1117.7
6 1 1 2 35.918 71.835 0.328 3.94 24 15.6 845.6
7 2 2 0 42.639 85.277 0.379 2.98 12 79.6 8348.0
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 0 13.856 27.713 3.7349 2756.8 9.9 10.1 5.6
2 1 1 0 19.797 39.594 2.64097 2212.6 8.0 8.1 5.7
3 1 1 1 24.507 49.014 2.15635 27762.1 100.0 100.0 5.7
4 2 0 0 28.618 57.237 1.86745 13042.3 47.0 46.5 5.8
5 2 1 0 32.378 64.757 1.6703 1117.7 4.0 3.9 5.9
6 1 1 2 35.918 71.835 1.52477 845.6 3.0 2.9 5.9
7 2 2 0 42.639 85.277 1.32049 8348.0 30.1 28.2 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)
|