TY - JOUR

T1 - Cation distribution and interatomic interactions in oxides with heterovalent isomorphism

T2 - III. Complex aluminates LnCaAlO4 (Ln = Y, La, Nd, Gd, Ho, Er, Yb)

AU - Smirnov, Yu E.

AU - Zvereva, I. A.

N1 - Funding Information: The work was financially supported by the Russian Foundation for Basic Research (project no. 00-03-32 567).

PY - 2001

Y1 - 2001

N2 - The heterovalent isomorphism of Ln3+ and Ca2+ cations in stoichiometric LnCaAlO4 oxides was studied. The X-ray diffractometry of the intensity of Laue background modulations revealed a positive short-range ordering in Ln3+ and Ca2+ distribution over points of one structural site common for both ions, which results in formation of stable Ln3+-Ca2+ couples in adjacent nine-coordinate oxygen polyhedra. The degree of ordering and the interchange energy estimated in the quasichemical approximation depend both on the effective cationic charges and on the number of unpaired f electrons of the lanthanide atom.

AB - The heterovalent isomorphism of Ln3+ and Ca2+ cations in stoichiometric LnCaAlO4 oxides was studied. The X-ray diffractometry of the intensity of Laue background modulations revealed a positive short-range ordering in Ln3+ and Ca2+ distribution over points of one structural site common for both ions, which results in formation of stable Ln3+-Ca2+ couples in adjacent nine-coordinate oxygen polyhedra. The degree of ordering and the interchange energy estimated in the quasichemical approximation depend both on the effective cationic charges and on the number of unpaired f electrons of the lanthanide atom.

UR - http://www.scopus.com/inward/record.url?scp=0035541953&partnerID=8YFLogxK

U2 - 10.1023/A:1012310930254

DO - 10.1023/A:1012310930254

M3 - Article

AN - SCOPUS:0035541953

VL - 71

SP - 845

EP - 852

JO - Russian Journal of General Chemistry

JF - Russian Journal of General Chemistry

SN - 1070-3632

IS - 6

ER -