One nickel too many: A distorted HoCoGa5-type structure motif and topological heteroclusters in a ternary Ti2-xNi3Ga9 intermetallic

IF 3.2 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Solid State Chemistry Pub Date : 2025-01-24 DOI:10.1016/j.jssc.2025.125223

Sofiya M. Lukacheva , Elena Yu. Zakharova , Anastasiia Yu. Makhaneva , Sergey N. Nesterenko , Sergey M. Kazakov , Konstantin A. Lyssenko , Alexander M. Banaru , Alexey N. Kuznetsov

{"title":"One nickel too many: A distorted HoCoGa5-type structure motif and topological heteroclusters in a ternary Ti2-xNi3Ga9 intermetallic","authors":"Sofiya M. Lukacheva , Elena Yu. Zakharova , Anastasiia Yu. Makhaneva , Sergey N. Nesterenko , Sergey M. Kazakov , Konstantin A. Lyssenko , Alexander M. Banaru , Alexey N. Kuznetsov","doi":"10.1016/j.jssc.2025.125223","DOIUrl":null,"url":null,"abstract":"<div><div>A new gallium-rich intermetallic Ti2-xNi3Ga9 was synthesized by high-temperature techniques as bulk samples and single crystals. The composition and structure of the compound were established by a combination of single-crystal and powder X-ray analysis and energy-dispersive X-ray spectroscopy. The obtained intermetallic compound crystallizes in its own structure type and has a narrow homogeneous region of x∼0.3-0. The topological relationship between Ti2-xNi3Ga9 and HoCoGa5-type structure was established. DFT calculations on the electronic structure of Ti2-xNi3Ga9 confirm metallic nature of the compound, while bonding analysis results favor the bonding scheme in Ti2-xNi3Ga9 as compared to its HoCoGa5-type hypothetical analogue.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125223"},"PeriodicalIF":3.2000,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Solid State Chemistry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022459625000465","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}

引用次数: 0

Abstract

A new gallium-rich intermetallic Ti_2-xNi₃Ga₉ was synthesized by high-temperature techniques as bulk samples and single crystals. The composition and structure of the compound were established by a combination of single-crystal and powder X-ray analysis and energy-dispersive X-ray spectroscopy. The obtained intermetallic compound crystallizes in its own structure type and has a narrow homogeneous region of x∼0.3-0. The topological relationship between Ti_2-xNi₃Ga₉ and HoCoGa₅-type structure was established. DFT calculations on the electronic structure of Ti_2-xNi₃Ga₉ confirm metallic nature of the compound, while bonding analysis results favor the bonding scheme in Ti_2-xNi₃Ga₉ as compared to its HoCoGa₅-type hypothetical analogue.

Abstract Image

查看原文本刊更多论文

求助全文

约1分钟内获得全文求助全文

来源期刊

Journal of Solid State Chemistry 化学-无机化学与核化学

CiteScore

6.00

自引率

9.10%

发文量

848

审稿时长

25 days

期刊介绍： Covering major developments in the field of solid state chemistry and related areas such as ceramics and amorphous materials, the Journal of Solid State Chemistry features studies of chemical, structural, thermodynamic, electronic, magnetic, and optical properties and processes in solids.