Terbium (lithium zinc) distannide, TbLi(1-x)Zn(x)Sn(2) (x = 0.2).

Acta Crystallographica. Section E, Structure Reports Online
Andrij StetskivVolodymyr Pavlyuk

Abstract

The new terbium (lithium zinc) distannide, TbLi(1-x)Zn(x)Sn(2) (x = 0.2) crystallizes in the ortho-rhom-bic CeNiSi(2) structure type with space group Cmcm and Pearson symbol oS16. Of the four independent 4c atom positions (m2m site symmetry), three are fully occupied by individual atoms (two by Sn and one by Tb atoms) and the fourth is occupied by Li and Zn atoms with a statistical distribution. The Tb coordination polyhedron is a 21-vertex pseudo-Frank-Kasper polyhedron. One Sn atom is enclosed in a tricapped trigonal prism, the second Sn atom is in a cubocta-hedron and the statistically distributed (Li,Zn) site is in a tetra-gonal anti-prism with one added atom. Electronic structure calculations were used for the elucidation of reasons for and the ability of mutual substitution of lithium and transition metals. Positive charge density was observed around the rare earth atom and the Li and Zn atoms, the negative charge density in the proximity of the Sn atoms.

References

Dec 25, 2007·Acta Crystallographica. Section A, Foundations of Crystallography·George M Sheldrick

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Citations

Feb 15, 2014·Acta Crystallographica. Section E, Structure Reports Online·Igor OshchapovskyBernd Harbrecht
Jul 9, 2013·Acta Crystallographica. Section C, Crystal Structure Communications·Andrij StetskivVolodymyr Pavlyuk
Jun 6, 2014·Acta Crystallographica. Section C, Structural Chemistry·Andrij StetskivVolodymyr Pavlyuk
Jan 9, 2014·Acta Crystallographica. Section C, Structural Chemistry·Julien P A Makongo, Svilen Bobev
Nov 21, 2013·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Igor OshchapovskyIgor Chumak
Sep 19, 2019·Inorganic Chemistry·Igor OshchapovskyVolodymyr Pavlyuk

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