Structural study on rhombohedral nonstoichiometric solid solution, SryU1-yO2+x-use of an electrostatic method for atom parameter and stability calculations

Takeo Fujino, Nobuaki Sato, Toshiyuki Yamashita, Hiroaki Tagawa

Research output: Contribution to journalArticlepeer-review

Abstract

The region of existence of rhombohedral nonstoichiometric solid solution, SrymU1-yO2+x a=7.7413 A ̊,α=59.31°), was studied in relation with y and x values. Space group was determined as R-m by X-ray diffractometry. Seven variable atom parameters of three 2c and two 6h oxygen atoms were obtained both by the R-factor minimization and electrostatic Madelung constant maximization methods. The maximized Madelung constant showed peaks near the observed rhombohedral angle, which suggests the applicability of this method for stability calculation of ionic nonstoichiometric compounds.

Original languageEnglish
Pages (from-to)201-210
Number of pages10
JournalSolid State Ionics
Volume49
Issue numberC
DOIs
Publication statusPublished - 1991 Jan 1

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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