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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LANGISITE
1, f-nickeline, s-nickeline
(Co,Ni)As
Hexagonal P 6(3)/mmc Z = 2
P6(3)/mmc
13 .8 .1999
Ref.Str.:
Wyckoff R.W.G. (1964)
* Crystal Structures, 1, 123-124
Ref.Composition & Lattice:
Petruk et al. (1969)
* Canad. Mineral., 19, 597
Reserv:
The coordinates of atoms are considered to equel
to those of breithauptite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.538 alpha = 90.0
b = 3.538 beta = 90.0
c = 5.127 gamma = 120.0
Unit cell volume (cub. angs.) = 55.58
Molar volume ( cub.cm/mol.) = 16.74
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 Co = 0.8 , Ni = 0.2
2 0.3333 0.6667 0.25 0.0 As = 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.) = 7.99
MU (1/cm) = 794.375 Mass attenuation coefficient (cm**2/g) = 99.383
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Co ,Ni 3.228 6
2.4116 2
2.4113 2
2.4116 2
2.4116 2
2.4113 2
2.4116 2
2 As 4.584 12
3.538 2
3.538 2
3.538 2
3.538 2
3.538 2
3.538 2
3.2777 2
3.2777 2
3.2781 2
3.2781 2
3.2777 2
3.2777 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 16.973 33.947 0.163 20.71 6 17.5 1234.4
2 1 0 1 19.882 39.764 0.19 14.63 12 46.1 12074.2
3 0 0 2 20.421 40.843 0.195 13.78 2 9.9 87.1
4 1 0 2 27.061 54.122 0.254 7.29 12 63.1 11272.6
5 1 1 0 30.373 60.746 0.283 5.62 6 83.6 7617.1
6 2 0 0 35.722 71.444 0.326 3.98 6 12.2 115.1
7 1 0 3 36.819 73.638 0.335 3.75 12 37.5 2051.4
8 2 0 1 37.543 75.086 0.341 3.62 12 37.2 1946.3
9 1 1 2 37.904 75.807 0.343 3.56 12 9.7 130.7
10 2 0 2 42.857 85.714 0.38 2.97 12 51.2 3015.8
11 0 0 4 44.254 88.508 0.39 2.87 2 70.3 918.1
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 16.973 33.947 3.064 1234.4 10.2 10.3 5.7
2 1 0 1 19.882 39.764 2.63011 12074.2 100.0 100.0 5.7
3 1 0 2 27.061 54.122 1.96612 11272.6 93.4 91.8 5.8
4 1 1 0 30.373 60.746 1.769 7617.1 63.1 61.5 5.8
5 1 0 3 36.819 73.638 1.49253 2051.4 17.0 16.2 6.0
6 2 0 1 37.543 75.086 1.46787 1946.3 16.1 15.3 6.0
7 1 1 2 37.904 75.807 1.45598 130.7 1.1 1.0 6.0
8 2 0 2 42.857 85.714 1.31506 3015.8 25.0 23.2 6.1
9 0 0 4 44.254 88.508 1.28175 918.1 7.6 7.0 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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