Ca3Pd4Bi8:: Crystal and electronic structure

被引：0

作者：

Johrendt, D ^{[1
]}

Mewis, A ^{[1
]}

机构：

[1] Univ Dusseldorf, Inst Anorgan Chem & Strukt Chem 2, D-40225 Dusseldorf, Germany

来源：

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 2002年 / 628卷 / 12期

关键词：

Ternary bismuthide; palladium; crystal structure; band structure calculations;

D O I：

10.1002/1521-3749(200212)628:12<2671::AID-ZAAC2671>3.0.CO;2-S

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Ca3Pd4Bi8 (a = 10.814(4), b = 17.050(6), c = 4.149(4) A) was prepared by heating the elements at 900degreesC and investigated by single crystal X-ray methods. The compound crystallizes in a new structure type (Pbam; Z = 2). Six Bi atoms form distorted trigonal prisms around the Pd atoms. The polyhedra share common corners, edges or faces building up a three dimensional Pd,Bi network, whose holes are occupied by Ca atoms. A special feature is a distorted octahedron of four Pd and two Bi atoms connected via short homonuclear bonds. The metallic behaviour of the compound derived from the bond lengths is discussed by LMTO band structure calculations.

引用

页码：2671 / 2674

页数：4

共 21 条

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