Materials Data on Tb2In16Pt7 by Materials Project

Abstract

Tb2Pt7In16 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent Pt and ten In atoms. All Tb–Pt bond lengths are 3.21 Å. There are a spread of Tb–In bond distances ranging from 3.32–3.40 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Tb and seven In atoms. There are a spread of Pt–In bond distances ranging from 2.78–2.90 Å. In the second Pt site, Pt is bonded in a body-centered cubic geometry to eight In atoms. There are a spread of Pt–In bond distances ranging from 2.76–2.79 Å. In the third Pt site, Pt is bonded in a body-centered cubic geometry to eight In atoms. There are four shorter (2.77 Å) and four longer (2.80 Å) Pt–In bond lengths. There are five inequivalent In sites. In the first In site, In is bonded in a distorted trigonal non-coplanar geometry to three Pt atoms. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Tb and four Pt atoms. In the third In site, In is bonded in a 4-coordinate geometry to one Tb and four Pt atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to one Tb, three Pt, and two equivalent In atoms. Both In–In bond lengths are 3.26 Å. In the fifth In site, In is bonded in a 2-coordinate geometry to four equivalent Tb, two equivalent Pt, and five In atoms. The In–In bond length is 2.96 Å.