Influence of the Metal–Metal Sigma Bonding on the Structures and Physical Properties of the Hexagonal Perovskite-Type Sulfides Sr9/8TiS3, Sr8/7TiS3, and Sr8/7[Ti6/7Fe1/7]S3

✍ Scribed by O Gourdon; E Jeanneau; M Evain; S Jobic; R Brec; H.-J Koo; M.-H Whangbo

• Publisher: Elsevier Science
• Year: 2001
• Tongue: English
• Weight: 414 KB
• Volume: 162
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.2001.9361

✦ Synopsis

chains of Sr 9/8 TiS 3 and Sr 8/7 TiS 3 contain oligomer units (Oh) n (n ‫؍‬ 4, 5) made up of face-sharing TiS 6 octahedra (Oh). Given the (TiS 3 ) chains aligned along the z direction, the only occupied d-block levels of each (TiS 3 ) chain are the most sigma bonding level of each (Oh) n oligomer, which is constructed from its n z 2 orbitals. This 99n-orbital two-electron:: metal+metal sigma bonding controls the d-orbital density distribution and the Ti+Ti distances of the (Oh) n oligomers and is ultimately responsible for the semiconducting property of Sr 9/