STRUCTURES OF QUATERNARY RU AND SB OXIDES BY COMPUTER-SIMULATION

被引：22

作者：

BATTLE, PD

BUSH, TS

CATLOW, CRA

机构：

[1] UNIV OXFORD, INORGAN CHEM LAB, OXFORD OX1 3QR, ENGLAND

[2] UCL ROYAL INST GREAT BRITAIN, DAVY FARADAY LAB, LONDON W1X 4BS, ENGLAND

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1995年 / 117卷 / 23期

关键词：

D O I：

10.1021/ja00128a018

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Pair potentials which facilitate the modeling of mixed metal oxides containing Ru5+, Sb5+, and Ru4+ have been derived. It is shown that these potentials are consistent with the structural differences observed between apparently analogous Sb and Ru compounds and that they can account for the complex crystal structure of Ba4NaRu3O12. A prediction is made about the structural stability of some as yet unknown quaternary oxides of Ru.

引用

页码：6292 / 6296

页数：5

共 22 条

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