A Series of Chalcogenide Borates RE<sub>6</sub>Ta<sub>2</sub>MgQB<sub>8</sub>O<sub>26</sub> (RE = Sm, Eu, Gd; Q = S, Se) Featuring a B<sub>4</sub>O<sub>10</sub> Cluster
Zhi‐Hui Shi, Yang Chi, Mei Yang, Wenlong Liu, Sheng‐Ping Guo
Abstract
New compounds with multiple anions are receiving increasing interest in view of their diverse structures and physical properties. Here we report four isostructural hexanary RE6Ta2MgQB8O26 (RE = Sm, Eu, Gd; Q = S, Se), belonging to the rare chalcogenide borates. Their structures feature an unprecedented [B4O10]8– unit comprised of one BO4 and three BO3 units. Their 3D structures are constructed by the connection between QRE6 octahedra and the ∞{[Mg(TaB4O13)2]16–} polyanionic layer. Density functional theory calculations on the electronic structure and a birefringence of 4 are also performed.
Topics & Concepts
IsostructuralChalcogenideChemistryBoronCrystallographyOctahedronSeries (stratigraphy)ChalcogenInorganic chemistryCrystal structurePaleontologyOrganic chemistryBiologyCrystal Structures and PropertiesInorganic Fluorides and Related CompoundsX-ray Diffraction in Crystallography