The Prediction of Lattice Constants in Orthorhombic Perovskites

R. Ubic; G. Subodh

doi:10.1016/j.jallcom.2009.08.139

The Prediction of Lattice Constants in Orthorhombic Perovskites

R. Ubic, G. Subodh

Micron School of Materials Science and Engineering

University of Stuttgart

Research output: Contribution to journal › Article › peer-review

57 Scopus citations

Abstract

The correlation between ionic radii and the lattice constants of orthorhombic perovskites is examined and new empirical formulae for the relationship are derived. As for cubic/pseudocubic perovskites, the lattice constants are largely a function of A-X and B-X bond lengths rather than ionic charge. The average absolute relative error in the predicted a, b, and c lattice constants so derived is expected to be about 0.616%, 1.089%, and 0.714%, respectively; therefore, these formulae are in better agreement with experimental data than those derived by earlier researchers.

Original language	American English
Pages (from-to)	374-379
Number of pages	6
Journal	Journal of Alloys and Compounds
Volume	488
Issue number	1
DOIs	https://doi.org/10.1016/j.jallcom.2009.08.139
State	Published - 20 Nov 2009

Keywords

Ceramics
Crystal structure
Ferroelectrics

EGS Disciplines

Materials Science and Engineering

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10.1016/j.jallcom.2009.08.139

https://scholarworks.boisestate.edu/mse_facpubs/43 License: Other

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title = "The Prediction of Lattice Constants in Orthorhombic Perovskites",

abstract = "The correlation between ionic radii and the lattice constants of orthorhombic perovskites is examined and new empirical formulae for the relationship are derived. As for cubic/pseudocubic perovskites, the lattice constants are largely a function of A-X and B-X bond lengths rather than ionic charge. The average absolute relative error in the predicted a, b, and c lattice constants so derived is expected to be about 0.616\%, 1.089\%, and 0.714\%, respectively; therefore, these formulae are in better agreement with experimental data than those derived by earlier researchers.",

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N2 - The correlation between ionic radii and the lattice constants of orthorhombic perovskites is examined and new empirical formulae for the relationship are derived. As for cubic/pseudocubic perovskites, the lattice constants are largely a function of A-X and B-X bond lengths rather than ionic charge. The average absolute relative error in the predicted a, b, and c lattice constants so derived is expected to be about 0.616%, 1.089%, and 0.714%, respectively; therefore, these formulae are in better agreement with experimental data than those derived by earlier researchers.

AB - The correlation between ionic radii and the lattice constants of orthorhombic perovskites is examined and new empirical formulae for the relationship are derived. As for cubic/pseudocubic perovskites, the lattice constants are largely a function of A-X and B-X bond lengths rather than ionic charge. The average absolute relative error in the predicted a, b, and c lattice constants so derived is expected to be about 0.616%, 1.089%, and 0.714%, respectively; therefore, these formulae are in better agreement with experimental data than those derived by earlier researchers.

KW - Ceramics

KW - Crystal structure

KW - Ferroelectrics

UR - https://www.scopus.com/pages/publications/70449705897

U2 - 10.1016/j.jallcom.2009.08.139

DO - 10.1016/j.jallcom.2009.08.139

M3 - Article

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VL - 488

SP - 374

EP - 379

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

IS - 1

ER -

The Prediction of Lattice Constants in Orthorhombic Perovskites

Abstract

Keywords

EGS Disciplines

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