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Crystal Structure, Microhardness and Thermal Expansion of Ternary TaIr2B2 Boride.

Authors :
Lozanov, V. V.
Utkin, A. V.
Letyagin, G. A.
Romanenko, G. V.
Polyukhov, D. M.
Kozlova, S. G.
Titov, A. T.
Baklanova, N. I.
Source :
Journal of Structural Chemistry; Jun2024, Vol. 65 Issue 6, p1100-1113, 14p
Publication Year :
2024

Abstract

The ternary TaIr<subscript>2</subscript>B<subscript>2</subscript> boride was prepared by the reaction between iridium and TaB<subscript>2</subscript> powders. It was shown that a choice in favor of any crystal structure of TaIr<subscript>2</subscript>B<subscript>2</subscript> boride using only X-ray powder diffraction analysis and single-crystal XRD is rather difficult to make. The DFT calculations were carried out to predict the energetically preferred crystal structure of TaIr<subscript>2</subscript>B<subscript>2</subscript>. The <superscript>11</superscript>B solid-state NMR spectrum of TaIr<subscript>2</subscript>B<subscript>2</subscript> was recorded for the first time. A combination of diffraction and spectroscopic methods, as well as theoretical calculations, allowed us to make clear choice in favor of the triclinic space group for the crystal structure of TaIr<subscript>2</subscript>B<subscript>2</subscript>. The Vickers microhardness value for TaIr<subscript>2</subscript>B<subscript>2</subscript> was found to be 17.9 ± 2.3 GPa, and the ternary TaIr<subscript>2</subscript>B<subscript>2</subscript> boride can be considered a hard material. Therefore, the family of hard ternary boride phases got a new member. The coefficients of thermal expansion of TaIr<subscript>2</subscript>B<subscript>2</subscript> measured by in situ high-temperature XRD analysis are independent of temperature along the a and b axes, but the CTE along the c axis deviates noticeably at elevated temperatures. The findings for the new ternary TaIr<subscript>2</subscript>B<subscript>2</subscript> boride are of interest for the rational design of complex structural materials containing Ta–Ir–B-based components and prediction of their high-temperature behavior. Further research into this ternary boride as well as other iridium-containing ternary borides will provide a tool to solve the problems faced by high-temperature materials science. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00224766
Volume :
65
Issue :
6
Database :
Complementary Index
Journal :
Journal of Structural Chemistry
Publication Type :
Academic Journal
Accession number :
178333644
Full Text :
https://doi.org/10.1134/S0022476624060040