A complex fulleride superstructure-decoupling cation vacancy and anion orientational ordering in Ca3+xC60 with maximum entropy data analysis

被引：4

作者：

Claridge, JB

Kubozono, Y

Rosseinsky, MJ

机构：

[1] Univ Liverpool, Dept Chem, Liverpool L69 7ZD, Merseyside, England

[2] Okayama Univ, Dept Chem, Okayama 7008530, Japan

来源：

CHEMISTRY OF MATERIALS | 2003年 / 15卷 / 09期

关键词：

D O I：

10.1021/cm020171y

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 structure of the alkaline-earth fulleride Ca3.01C60 is refined using maximum entropy data analysis of synchrotron powder diffraction data. Despite the size and complexity of the structural problem, the fulleride anion orientations and the details of multiple occupancy of the octahedral interstitial sites in the fcc anion array are determined. The power of the maximum entropy technique in solving underdetermined problems in powder crystallography is thus demonstrated.

引用

页码：1830 / 1839

页数：10

共 22 条

[1] Isomer specific intercalation chemistry:: Potassium insertion into the D2 and D2d isomers of C84 [J].