β-U4O9结构的优化

Refinement of the structure of beta-U4O9.

作者信息

Cooper R I, Willis B T M

机构信息

Chemical Crystallography, University of Oxford, Chemical Research Building, Mansfield Road, OX1 3TA, England.

出版信息

Acta Crystallogr A. 2004 Jul;60(Pt 4):322-5. doi: 10.1107/S010876730401219X. Epub 2004 Jun 24.

DOI:10.1107/S010876730401219X

PMID:15218211

Abstract

Beta-U4O9 is a superlattice structure based on the fluorite arrangement of UO2. The U atoms occupy positions close to those in UO2 and the additional O atoms are accommodated in cuboctahedral clusters of 43m symmetry, which are centred on the special 12-fold sites of the cubic space group I43d. The structure has been refined from single-crystal neutron data in accordance with the procedure described in the previous paper [Popa & Willis (2004). Acta Cryst. A60, 318-321].

摘要

β-U4O9是一种基于UO2萤石结构排列的超晶格结构。U原子占据的位置与UO2中的位置相近，额外的O原子容纳在具有43m对称性的立方八面体簇中，这些簇以立方空间群I43d的特殊12重位置为中心。该结构已根据上一篇论文[波帕和威利斯（2004年）。《晶体学报》。A60，318 - 321]中描述的程序，从单晶中子数据中进行了精修。