Y 95 Yurieva, E. I. Quantum Chemical Features of Ln–O Interatomic Interactions in LnNbxOy (Ln = La, Ce, Pr, Nd, Pm, Sm, Eu) Systems / E. I. Yurieva, O. G. Reznitskikh, V. G. Bamburov // Physics of the Solid State. - 2010. - vol. 52, № 2. - P230-236 : il. - Bibliogr. : p. 235-236 (19 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): НИОБАТЫ ЛАНТАНИДОВ -- КОМПЛЕКСНЫЕ ОКСИДЫ Аннотация: Properties of the lanthanide–oxygen bonds in lanthanide niobates LnNb7O12 (Ln = La, Ce, Pr, Nd, Pm, Sm, Eu) have been studied using the ab initio cluster Xα discrete variational method with two different basis sets of molecular orbitals. It has been found that the structural instability of lanthanides LnNb7O12 (Ln = Nd, Sm) observed in experiments is due to the combined effect of decrease in the stability of [LnO8]13–cluster and increase in quantum mechanical Ln–O repulsion when the minimum near neodymium (in the first model of the basis set of molecular orbitals) or praseodymium (in the second model of the basis set of molecular orbitals) atoms is passed Полный текст |
N 52 New Representatives of the Raddlesden–Popper Homologous Series: Anion-Deficient Oxides Sr3Co2-xZnxO6+δ(=0.5, 0,75) / T. I. Chupakhina, N. A. Zaitseva, M. A. Melkozerova, G. V. Bazuev // Russian Journal of Inorganic Chemistry. - 2006. - Vol. 51, № 8. - P1157-1162 : il. - Bibliogr. : p. 1162 (19 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): КОМПЛЕКСНЫЕ ОКСИДЫ -- РАДДЛЕСДЕНА-ПОППЕРА СТРУКТУРА Аннотация: New complex oxides Sr3Co2 –ZnxO6+δ with x= 0.50 and 0.75, which belong to the Raddlesden– Popper homologous series (An+ 1BnO3n+ 1;n= 2), are synthesized. The structural and magnetic properties of these oxides are studied. The unit cell parameters a and c for the x= 0.5 and 0.75 compounds are 0.38541(2) and 0.38573(2) nm and 2.03543(1) and 2.03999(11) nm, respectively. The magnetic susceptibility of Sr3Co1.5Zn0.5O6.25 as a function of temperature obeys the Curie–Weiss law (χ=C/(T–θ)) only within a narrow temperature range from 250 to 300 K. At low temperatures, this compound has spin-glass properties with a characteristic magnetic and temperature hystereses and a freezing temperature of Tg= 25–30 K Полный текст |
C 16 Calculation of Miscibility for Compounds with Zircon Structure / V. D. Zhuravlev, T. A. Patrusheva, O. G. Reznitskikh, N. D. Koryakin // Russian Journal of Inorganic Chemistry. - 2009. - Vol. 54, № 9. - P1419-1423 : il. - Bibliogr. : p. 1423 (5 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): СТРУКТУРА ЦИРКОНА -- КОМПЛЕКСНЫЕ ОКСИДЫ Аннотация: An algorithm is proposed for calculating isomorphic miscibility of LnEO4 compounds with zircon structure, where Ln = Sc, Y, or Ce–Lu and E = P, V, or As, in terms of Urusov’s theory. Miscibility in CeVO4–ScVO4 and NdVO4–ScVO4 systems is revised Полный текст |