Materials Data on Tb4Si3Ge by Materials Project

Abstract

Tb4GeSi3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to one Ge and six Si atoms. The Tb–Ge bond length is 3.01 Å. There are four shorter (2.98 Å) and two longer (3.13 Å) Tb–Si bond lengths. In the second Tb site, Tb is bonded in a 5-coordinate geometry to two equivalent Ge and five Si atoms. Both Tb–Ge bond lengths are 3.19 Å. There are four shorter (2.97 Å) and one longer (3.01 Å) Tb–Si bond lengths. In the third Tb site, Tb is bonded in a 5-coordinate geometry to four equivalent Ge and three Si atoms. All Tb–Ge bond lengths are 2.98 Å. There are one shorter (3.01 Å) and two longer (3.19 Å) Tb–Si bond lengths. In the fourth Tb site, Tb is bonded in a 5-coordinate geometry to seven Si atoms. There are five shorter (2.98 Å) and two longer (3.14 Å) Tb–Si bond lengths. Ge is bonded in a 9-coordinate geometry to seven Tb and two equivalent Si atoms. Both Ge–Si bond lengths are 2.58 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Tb and two equivalent Si atoms. Both Si–Si bond lengths are 2.52 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Tb and two equivalent Si atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ge atoms.