All the disorder mechanisms in the 13:58 phases come together. Out of the modulated confusion rises the remarkable phase Ce12.60Cd 58.68(2)

Ying Piao Shu, Lukas Palatinus, Sven Lidin

Research output: Contribution to journalArticlepeer-review

Abstract

The compound Ce12.60Cd58.68(2) is a metrically commensurate representative of the incommensurately modulated phase Ce 13Cd57+δ. It is most likely a lock-in phase. The structure, which was solved using seeding of the modulation from those positions most affected as well as direct solution by charge flipping, represents a rare case of ordering in a family of structures where disorder is the rule. The disorder mechanisms, known from other RE13Zn/Cd58 phases, order in this phase to give rise to a remarkable interplay between interstitials and vacancies. The compound crystallizes in the super space group Ccmm(α00)00s (standard setting Amma(00γ)s00) with cell parameters a = 27.2789(14) Å, b = 15.7592(1) Å, and c = 15.5816(4) Å and a q vector close to 2/3.

Original languageEnglish
Pages (from-to)1079-1086
Number of pages8
JournalInorganic Chemistry
Volume47
Issue number3
DOIs
Publication statusPublished - 2008 Feb 4
Externally publishedYes

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