Materials Data on TbInCo2 by Materials Project

Abstract

TbCo2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to seven Co and six equivalent In atoms. There are a spread of Tb–Co bond distances ranging from 2.64–3.10 Å. There are four shorter (3.27 Å) and two longer (3.34 Å) Tb–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 3-coordinate geometry to three equivalent Tb, four equivalent Co, and two equivalent In atoms. All Co–Co bond lengths are 2.46 Å. Both Co–In bond lengths are 2.74 Å. In the second Co site, Co is bonded to four equivalent Tb, six Co, and two equivalent In atoms to form a mixture of face, edge, and corner-sharing CoTb4In2Co6 cuboctahedra. Both Co–Co bond lengths are 2.52 Å. Both Co–In bond lengths are 2.80 Å. In is bonded in a 12-coordinate geometry to six equivalent Tb, four Co, and two equivalent In atoms. Both In–In bond lengths are 3.33 Å.