Materials Data on Tb6In23Pt12 by Materials Project

Abstract

Tb6Pt12In23 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to four Pt and eleven In atoms. There are two shorter (3.07 Å) and two longer (3.39 Å) Tb–Pt bond lengths. There are a spread of Tb–In bond distances ranging from 3.24–3.66 Å. In the second Tb site, Tb is bonded in a 1-coordinate geometry to five Pt and ten In atoms. There are a spread of Tb–Pt bond distances ranging from 2.88–3.33 Å. There are a spread of Tb–In bond distances ranging from 3.23–3.60 Å. In the third Tb site, Tb is bonded in a 10-coordinate geometry to four Pt and ten In atoms. There are two shorter (3.22 Å) and two longer (3.37 Å) Tb–Pt bond lengths. There are a spread of Tb–In bond distances ranging from 3.24–3.48 Å. There are six inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three Tb and six In atoms. There are a spread of Pt–In bond distances ranging from 2.73–3.01 Å. In the second 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 2.75–2.83 Å. In the third 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 2.76–2.89 Å. In the fourth Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Tb and eight In atoms. There are a spread of Pt–In bond distances ranging from 2.77–3.21 Å. In the fifth 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 2.73–2.91 Å. In the sixth 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 2.78–2.89 Å. There are twelve inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to three Tb and four Pt atoms. In the second In site, In is bonded in a 3-coordinate geometry to one Tb and four Pt atoms. In the third In site, In is bonded in a 5-coordinate geometry to two Tb, five Pt, and two equivalent In atoms. Both In–In bond lengths are 3.28 Å. In the fourth In site, In is bonded in a 3-coordinate geometry to three Tb, three Pt, and one In atom. The In–In bond length is 3.03 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to three Tb and three Pt atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to three equivalent Tb and three equivalent Pt atoms. In the seventh In site, In is bonded in a 4-coordinate geometry to three Tb and four Pt atoms. In the eighth In site, In is bonded in a 4-coordinate geometry to one Tb and four Pt atoms. In the ninth In site, In is bonded in a 3-coordinate geometry to four Tb and three Pt atoms. In the tenth In site, In is bonded in a 4-coordinate geometry to three Tb and four Pt atoms. In the eleventh In site, In is bonded in a distorted linear geometry to four equivalent Tb and two equivalent Pt atoms. In the twelfth In site, In is bonded in a 12-coordinate geometry to three equivalent Tb, four Pt, and five In atoms. Both In–In bond lengths are 3.18 Å.