A COVALENT VIEW OF CHEMICAL BONDING IN LAVES PHASES CALIXAL2-X

被引：69
作者：
NESPER, R
MILLER, GJ
机构：
[1] IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
[2] SWISS FED INST TECHNOL,ANORGAN CHEM LAB,CH-8092 ZURICH,SWITZERLAND
来源：
JOURNAL OF ALLOYS AND COMPOUNDS | 1993年 / 197卷 / 01期
关键词：
D O I：
10.1016/0925-8388(93)90628-Z
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The series of compounds CaLiAl2-x was synthesized and structurally characterized in order to probe the effect of valence electron concentration on both global and local structural features in main group intermetallics. CaLixAl2-x compounds adopt Laves phase structures and show the following trend: (i) x=0, MgCu2 type; (ii) 0.25<x<0.75, MgNi, type; (iii) 0.80<x<1.0, MgZn2 type; (iv) 1.0<x<2.0, two-phase region; (v) x=2, MgZn2 type. Extended Huckel calculations are used to examine local chemical bonding effects and to rationalize the observed bond distance trends and arrangement of atomic constituents in this system.
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页码：109 / 121
页数：13
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