Participation of sodium in the bonding of anionic networks:: Synthesis, structure, and bonding of Na3MIn2 (M = Au, Ag)

被引：31

作者：

Li, B

Corbett, JD ^{[1
]}

机构：

[1] Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA

[2] Iowa State Univ, Dept Chem, Ames, IA 50011 USA

来源：

INORGANIC CHEMISTRY | 2005年 / 44卷 / 19期

关键词：

D O I：

10.1021/ic050979v

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Two isostructural compounds Na(3)Mln(2) (M = Au, Ag) with a NiTi2-type structure (Fd-3m) were synthesized via typical high-temperature reactions. The anionic M-In structure consists of tetrahedral star building units [ln(4)M(4/2)] (TS) that are connected into a three-dimensional framework via shared TS vertexes, with the Na atoms filling the cages. On the basis of TB-LMTO-ASA calculations, the electronic structures of both compounds show substantial participation of sodium in the overall bonding of the structure. Compared with the Ag compound, relativistic effects in the Au phase appear to be significant, as shown in the M-M and M-Na bond length decreases of 0.03-0.04 angstrom.

引用

页码：6515 / 6517

页数：3

共 27 条

[1]

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