The role of the coordination defect (CD) in the structures of anion-deficient, fluorite-related compounds.

IF 1.9 3区化学

Acta Crystallographica Section B-structural Science Pub Date : 2013-02-01 Epub Date: 2013-01-19 DOI:10.1107/S0108768112051105

D J M Bevan, Lisandra L Martin, Raymond L Martin

引用次数: 2

Abstract

The various superstructure phases that occur with the anion-deficient compositions of binary oxides MO(2-x) with the fluorite structure as parent are explored here in terms of the original 'coordination defect' (or CD) concept in which each vacant oxygen site, □, is 'coordinated' by six O atoms thereby creating the octahedral 'structure-determining' entity [M(3.5)□O(6)]. It emerges that the structure and composition of each anion-deficient (polymorph) phase can be described in terms of crystallographic `motifs' which comprise sets of parallel coplanar polygons based on ½<210>(F) and ½<111>(F) CD linkages.

查看原文本刊更多论文

配位缺陷(CD)在缺乏阴离子的萤石相关化合物结构中的作用。

本文根据原始的“配位缺陷”(CD)概念探讨了以萤石结构为母体的二元氧化物MO(2-x)阴离子缺乏成分所发生的各种上层结构相，其中每个空氧位点□由六个O原子“配位”，从而形成八面体“结构决定”实体[M(3.5)□O(6)]。结果表明，每个阴离子缺乏(多晶)相的结构和组成可以用晶体学“基序”来描述，基序由基于1 / 2 (F)和1 / 2 (F) CD键的平行共面多边形组成。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Acta Crystallographica Section B-structural Science 化学-晶体学

自引率

5.30%

发文量

审稿时长

6-12 weeks

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.