无机材料学报

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ABO3型钛铁矿结构化合物的容差因子

刘向春1,2, 高 峰2, 邓军平1, 田长生2   

  1. 1. 西安科技大学 材料科学与工程系, 西安 710054; 2. 西北工业大学 材料学院, 西安 710072
  • 收稿日期:2007-10-15 修回日期:2007-12-28 出版日期:2008-09-20 网络出版日期:2008-09-20

Tolerance Factor of ABO3-type Ilmenite Compound

LIU Xiang-Chun1,2, GAO Feng2, DENG Jun-Ping1, TIAN Chang-Sheng2   

  1. 1. Department of Materials Science and Engineering, Xi'an University of Science and Technology, Xi’an 710054, China; 2. School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072, China
  • Received:2007-10-15 Revised:2007-12-28 Published:2008-09-20 Online:2008-09-20

摘要: 通过结构解析, 建立了ABO3型钛铁矿的容差因子计算公式以评估结构的稳定性, 经过分析具有钛铁矿结构的MgTiO3、NiTiO3、CoTiO3、ZnTiO3以及(Zn1-x, Mx )TiO3(M为Mg、Ni、Co)复合钛铁矿的稳定性, 验证了容差因子公式的合理性; 通过对已发现的具ABO3型钛铁矿结构的化合物的统计分析, 提出形成稳定钛铁矿结构的经验容差因子范围和经验电负性差值, 即: t>0.80, e>1.465.

关键词: 钛铁矿, 稳定性, 容差因子, 电负性差, 结构

Abstract: The tolerance factor of ABO3-type ilmenite by analyzing the ABO3 ilmenite crystal structure is established, and combining with the electronegativity difference, regularities governing the formation and the stability of ilmenite-type compounds are discussed. The tolerance factor equation is proved appropriate for ilmenite structure by analyzing the structure stability of some ilmenite compounds, such as MgTiO3, NiTiO3, CoTiO3, ZnTiO3 and (Zn1-x, Mx)TiO3 (M denote Mg, Ni, Co). According to the results of statistical analyzing the tolerance factor and electronegativity difference of the present ABO3-type ilmenite, the
experience tolerance factor value and experience electronegativity difference value to form stable ilmenite compound are obtained, that is, t>0.80 and e>1.465.

Key words: ilmenite, stability, tolerance factor, electronegativity difference, structure

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