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":"多一个镍：三元Ti2-xNi3Ga9金属间化合物中扭曲的hocoga5型结构基序和拓扑异质团簇","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 Ti<sub>2-x</sub>Ni<sub>3</sub>Ga<sub>9</sub> 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<sub>2-x</sub>Ni<sub>3</sub>Ga<sub>9</sub> and HoCoGa<sub>5</sub>-type structure was established. DFT calculations on the electronic structure of Ti<sub>2-x</sub>Ni<sub>3</sub>Ga<sub>9</sub> confirm metallic nature of the compound, while bonding analysis results favor the bonding scheme in Ti<sub>2-x</sub>Ni<sub>3</sub>Ga<sub>9</sub> as compared to its HoCoGa<sub>5</sub>-type hypothetical analogue.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125223"},"PeriodicalIF":3.5000,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"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 Ti<sub>2-x</sub>Ni<sub>3</sub>Ga<sub>9</sub> 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<sub>2-x</sub>Ni<sub>3</sub>Ga<sub>9</sub> and HoCoGa<sub>5</sub>-type structure was established. DFT calculations on the electronic structure of Ti<sub>2-x</sub>Ni<sub>3</sub>Ga<sub>9</sub> confirm metallic nature of the compound, while bonding analysis results favor the bonding scheme in Ti<sub>2-x</sub>Ni<sub>3</sub>Ga<sub>9</sub> as compared to its HoCoGa<sub>5</sub>-type hypothetical analogue.</div></div>\",\"PeriodicalId\":378,\"journal\":{\"name\":\"Journal of Solid State Chemistry\",\"volume\":\"345 \",\"pages\":\"Article 125223\"},\"PeriodicalIF\":3.5000,\"publicationDate\":\"2025-05-01\",\"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\":\"2025/1/24 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","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":"2025/1/24 0:00:00","PubModel":"Epub","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
One nickel too many: A distorted HoCoGa5-type structure motif and topological heteroclusters in a ternary Ti2-xNi3Ga9 intermetallic
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.
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.
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