新型二元化合物Ba(19)Li(44)中的双二十面体锂簇：Ba-Li相图的重新研究

Double-icosahedral Li clusters in a new binary compound Ba(19)Li(44): a reinvestigation of the Ba-Li phase diagram.

作者信息

Smetana Volodymyr, Babizhetskyy Volodymyr, Vajenine Grigori V, Hoch Constantin, Simon Arndt

机构信息

Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany.

出版信息

Inorg Chem. 2007 Jun 25;46(13):5425-8. doi: 10.1021/ic070249i. Epub 2007 May 25.

DOI:10.1021/ic070249i

PMID:17523631

Abstract

The binary Ba-Li system was reinvestigated for compositions with less than 80 at. % Li. A new compound, Ba(19)Li(44), stable up to 126 degrees C, was found and structurally characterized. According to single-crystal X-ray diffraction data, the compound crystallizes in a new structure type with a tetragonal unit cell, space group I42d, a = 16.3911(5) Angstrom, c = 32.712(1) Angstrom, Z = 4, and V = 8788.7(5) Angstrom(3). It can be described as a complicated variant of the chalcopyrite structure. Typical for Li-rich phases, Ba(19)Li(44) contains icosahedron-based polytetrahedral clusters.

摘要

对锂含量低于80原子百分比的二元钡 - 锂体系进行了重新研究。发现了一种新化合物Ba(19)Li(44)，其在高达126℃时稳定，并对其进行了结构表征。根据单晶X射线衍射数据，该化合物以新的结构类型结晶，具有四方晶胞，空间群I42d，a = 16.3911(5)埃，c = 32.712(1)埃，Z = 4，V = 8788.7(5)埃³。它可以被描述为黄铜矿结构的复杂变体。富含锂的相的典型特征是，Ba(19)Li(44)包含基于二十面体的多面体簇。