Materials Data on TbSiPd by Materials Project

TbPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to six Pd and six Si atoms. There are a spread of Tb–Pd bond distances ranging from 2.96–3.12 Å. There are a spread of Tb–Si bond distances ranging from 3.09–3.24 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to six Pd and six Si atoms. There are a spread of Tb–Pd bond distances ranging from 3.13–3.22 Å. There are a spread of Tb–Si bond distances ranging from 2.97–3.11 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to six Pd and six Si atoms. There are a spread of Tb–Pd bond distances ranging from 2.92–3.12 Å. There are a spread of Tb–Si bond distances ranging from 3.05–3.23 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Tb, one Pd, and three Si atoms. The Pd–Pd bond length is 3.04 Å. There are one shorter (2.51 Å) and two longer (2.52 Å) Pd–Si bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Tb, one Pd, and three equivalent Si atoms. There are two shorter (2.52 Å) and one longer (2.58 Å) Pd–Si bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Tb and four Si atoms. There are a spread of Pd–Si bond distances ranging from 2.54–2.84 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to six Tb and four Pd atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to six Tb, three equivalent Pd, and one Si atom. The Si–Si bond length is 2.62 Å. In the third Si site, Si is bonded in a 10-coordinate geometry to six Tb, three Pd, and one Si atom.