KNa0.78Eu0.27In3.80B12S12: a novel hexanary thioborate featuring a B12S12 cluster and diverse InSx (x = 4, 5, 6) units. Issue 11 (27th April 2022)

• Record Type: Journal Article
• Authors: Han, Shan-Shan; Yu, Su-Xin; Liu, Wenlong; Guo, Sheng-Ping
• Is Part Of: Inorganic chemistry frontiers. Volume 9:Issue 11(2022)
• Page Start: 2462
• Page End: 2469
• Publication Date: 2022-04-27
• Subjects: Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/d2qi00520d
• Languages: English
• ISSNs: 2052-1553

Abstract

Abstract : A novel thioborate KNa0.78 Eu0.27 In3.80 B12 S12 features {[In3.80 B12 S12 ] 2.6− }∞ framework built by B12 S12 clusters and InS x ( x = 4, 5, 6) units. Its structural chemistry is well described, and compared with known compounds containing B12 Q12 cluster. Abstract : Thioborates combine the advantages of sulfides and borates, and are a new type of multifunctional inorganic material with versatile structural features. Here, a thioborate KNa0.78 Eu0.27 In3.80 B12 S12 crystallizing with a new type of compound was synthesized by a high-temperature flux method. Its structure features a rarely discovered B12 S12 cluster and diverse InS x ( x = 4, 5, 6) units built in a three-dimensional {[In3.80 B12 S12 ] 2.6− }∞ polyanionic framework. The structural complexity and novelty are well elaborated. Its optical band gap was determined to be 2.28 eV, and a theoretical calculation of its electronic structure was also performed. This work not only enriches the structural chemistry of chalcogenoborates but also provides a new potential RE–B–Q family (RE = rare-earth metal; Q = S, Se). The latter may produce some interesting functionals.