Materials Data on Tb4Zn5Ge6 by Materials Project

Abstract

Tb4Zn5Ge6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to two equivalent Zn and six Ge atoms. Both Tb–Zn bond lengths are 3.26 Å. There are a spread of Tb–Ge bond distances ranging from 2.99–3.11 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to five Zn and eight Ge atoms. There are a spread of Tb–Zn bond distances ranging from 2.97–3.12 Å. There are a spread of Tb–Ge bond distances ranging from 3.02–3.54 Å. In the third Tb site, Tb is bonded in a 6-coordinate geometry to one Zn and six Ge atoms. The Tb–Zn bond length is 3.26 Å. There are a spread of Tb–Ge bond distances ranging from 2.91–3.04 Å. In the fourth Tb site, Tb is bonded in a 2-coordinate geometry to three Zn and eight Ge atoms. There are one shorter (2.97 Å) and two longer (3.05 Å) Tb–Zn bond lengths. There are a spread of Tb–Ge bond distances ranging from 2.98–3.50 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four Tb, two Zn, and four Ge atoms. There are one shorter (2.60 Å) and one longer (2.76 Å) Zn–Zn bond lengths. There are a spread of Zn–Ge bond distances ranging from 2.45–2.80 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to two Zn and four Ge atoms. The Zn–Zn bond length is 2.65 Å. There are a spread of Zn–Ge bond distances ranging from 2.57–2.76 Å. In the third Zn site, Zn is bonded in a 4-coordinate geometry to two Tb, one Zn, and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.50–2.68 Å. In the fourth Zn site, Zn is bonded in a 1-coordinate geometry to two equivalent Tb, one Zn, and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.50–2.70 Å. In the fifth Zn site, Zn is bonded in a 3-coordinate geometry to three Tb and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.48–2.82 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two Zn, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to four Tb and four Zn atoms. In the third Ge site, Ge is bonded in a 5-coordinate geometry to six Tb, one Zn, and one Ge atom. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to four Tb and six Zn atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to four Tb and five Zn atoms. In the sixth Ge site, Ge is bonded in a 6-coordinate geometry to four Tb and two Zn atoms.