Comment on "Prediction of lattice constant in cubic perovskites"

被引:218
作者
Moreira, Roberto L.
Dias, Anderson
机构
[1] Univ Fed Minas Gerais, ICEx, Dept Fis, BR-30123970 Belo Horizonte, MG, Brazil
[2] Univ Fed Ouro Preto, ICEB, Dept Quim, BR-35400000 Ouro Preto, MG, Brazil
关键词
oxides; inorganic compounds; semiconductors; epitaxial growth; crystal growth;
D O I
10.1016/j.jpcs.2007.03.050
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
In a recent work by Jiang et al. [Prediction of lattice constant in cubic perovskites, J. Phys. Chem. Solids 67 (2006) 1531-1536], the interrelationship between lattice constant, ionic radii and tolerance factor of cubic perovskites has been established and an empirical equation was obtained. However, the assumption of incorrect ionic coordination led to an incorrect mathematical expression even though the average relative errors between predicted and observed lattice constants of 132 materials were below 1%. Here, corrected coefficients for that empirical expression are obtained, which would likely be useful for investigation of general perovskite materials. (C) 2007 Elsevier Ltd. All rights reserved.
引用
收藏
页码:1617 / 1622
页数:6
相关论文
共 18 条
[1]   The perovskite structure - a review of its role in ceramic science and technology [J].
Bhalla, AS ;
Guo, RY ;
Roy, R .
MATERIALS RESEARCH INNOVATIONS, 2000, 4 (01) :3-26
[2]   Recent progress in relaxor ferroelectrics with perovskite structure [J].
Bokov, AA ;
Ye, ZG .
JOURNAL OF MATERIALS SCIENCE, 2006, 41 (01) :31-52
[3]   The crystal structure of argentojarosite, AgFe3(SO4)2(OH)6 [J].
Groat, LA ;
Jambor, JL ;
Pemberton, BC .
CANADIAN MINERALOGIST, 2003, 41 :921-928
[4]   Vibrational spectroscopy and x-ray diffraction of Perovskite compounds Sr(1-x)M(x)TiO(3) (M=Ca,Mg; 0<=x<=1) [J].
Hirata, T ;
Ishioka, K ;
Kitajima, M .
JOURNAL OF SOLID STATE CHEMISTRY, 1996, 124 (02) :353-359
[5]   CRYSTAL-STRUCTURE OF TIN(II) IODIDE [J].
HOWIE, RA ;
TREVENA, IC ;
MOSER, W .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1972, B 28 (OCT15) :2965-&
[6]   Double perovskites as anode materials for solid-oxide fuel cells [J].
Huang, YH ;
Dass, RI ;
Xing, ZL ;
Goodenough, JB .
SCIENCE, 2006, 312 (5771) :254-257
[7]   Prediction of lattice constant in cubic perovskites [J].
Jiang, L. Q. ;
Guo, J. K. ;
Liu, H. B. ;
Zhu, M. ;
Zhou, X. ;
Wu, P. ;
Li, C. H. .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2006, 67 (07) :1531-1536
[8]  
Knauth P, 2002, J AM CERAM SOC, V85, P1654, DOI 10.1111/j.1151-2916.2002.tb00334.x
[9]   CRYSTAL-STRUCTURE OF CSMNCL3 AND A SUMMARY OF STRUCTURES OF RMX3 COMPOUNDS [J].
LI, T ;
STUCKY, GD ;
MCPHERSO.GL .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1973, B 29 (JUN15) :1330-1335
[10]   EFFECT OF CHLORINE ON THE CRYSTAL-STRUCTURE OF A CHLORINE-RICH HASTINGSITE [J].
MAKINO, K ;
TOMITA, K ;
SUWA, K .
MINERALOGICAL MAGAZINE, 1993, 57 (389) :677-685