STRUCTURAL FEATURES OF FexTiSe2 MATERIALS WITH THE RETROGRADE SOLUBILITY IN THE SOLID STATE / Shkvarina E. G.,Titov A. N.,Titova S. G.,Fedorova O. M. // JOURNAL OF STRUCTURAL CHEMISTRY. - 2016. - V. 57, l. 4. - P. 710-716.

ISSN/EISSN:

0022-4766 / 1573-8779

Type:

Article

Abstract:

Changes in the crystal structure, which are accompanied by iron intercalation and release in the layered intercalation compound TiSe2, demonstrating the retrograde solubility in the completely solid state, are considered. Various concentration regions not exceeding, exceeding, and corresponding to the leakage limit of the overlap of titanium orbitals coordinated by iron are analyzed. It is shown that at low temperatures (below 400 degrees C) the behavior of iron in the TiSe2 lattice is governed by a covalent bond of iron with the lattice whereas at high temperatures (above 1000 degrees C) iron becomes an ionic impurity. In the intermediate temperature range, iron atoms are involved in either covalent or ionic bond with the lattice. When the concentration of iron in the form of the ionic impurity increases, an increase in the cell parameter in the direction perpendicular to the layers is accompanied by a compression of the Se-Ti-Se sandwich and an increase in the van der Waals gap. When the covalent bond forms, there is a decrease in the lattice parameter in the direction perpendicular to the layers, which is accompanied by an increase in the width of the Se-Ti-Se sandwich and a decrease in the van der Waals gap.

Author keywords:

full-profile powder X-ray diffraction analysis; NGRS; retrograde solubility in the solid state; iron-intercalated titanium diselenide

DOI:

10.1134/S0022476616040120

Web of Science ID:

ISI:000389715200012

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	JUL
Publisher	MAIK NAUKA/INTERPERIODICA/SPRINGER
Address	233 SPRING ST, NEW YORK, NY 10013-1578 USA
Language	English
EISSN	1573-8779
Research-Areas	Chemistry
Web-of-Science-Categories	Chemistry, Inorganic \& Nuclear; Chemistry, Physical
Author-Email	physicsmet@yandex.ru
ResearcherID-Numbers	Shkvarina, Elena/J-7345-2013 Titov, Alexander/K-4328-2013
ORCID-Numbers	Shkvarina, Elena/0000-0002-4693-0313 Titov, Alexander/0000-0003-3636-2604
Number-of-Cited-References	12
Usage-Count-Last-180-days	4
Usage-Count-Since-2013	5
Journal-ISO	J. Struct. Chem.
Doc-Delivery-Number	EE6JD