Materials Data on Zr2InPd2 by Materials Project

Abstract

Zr2Pd2In crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six Pd and four In atoms. There are a spread of Zr–Pd bond distances ranging from 2.91–3.07 Å. All Zr–In bond lengths are 3.53 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six Pd and four In atoms. There are a spread of Zr–Pd bond distances ranging from 2.93–3.03 Å. There are a spread of Zr–In bond distances ranging from 3.43–3.45 Å. In the third Zr site, Zr is bonded in a 6-coordinate geometry to six Pd and four In atoms. There are a spread of Zr–Pd bond distances ranging from 2.92–3.02 Å. There are a spread of Zr–In bond distances ranging from 3.43–3.46 Å. In the fourth Zr site, Zr is bonded in a 6-coordinate geometry to six Pd and four In atoms. There are a spread of Zr–Pd bond distances ranging from 2.91–3.07 Å. There are two shorter (3.52 Å) and two longer (3.53 Å) Zr–In bond lengths. In the fifth Zr site, Zr is bonded in a 6-coordinate geometry to six Pd and four In atoms. There are a spread of Zr–Pd bond distances ranging from 2.92–3.02 Å. There are a spread of Zr–In bond distances ranging from 3.43–3.46 Å. In the sixth Zr site, Zr is bonded in a 6-coordinate geometry to six Pd and four In atoms. There are a spread of Zr–Pd bond distances ranging from 2.92–3.02 Å. There are a spread of Zr–In bond distances ranging from 3.43–3.46 Å. In the seventh Zr site, Zr is bonded in a 6-coordinate geometry to six Pd and four In atoms. There are a spread of Zr–Pd bond distances ranging from 2.91–3.08 Å. There are two shorter (3.52 Å) and two longer (3.53 Å) Zr–In bond lengths. In the eighth Zr site, Zr is bonded in a 6-coordinate geometry to six Pd and four In atoms. There are a spread of Zr–Pd bond distances ranging from 2.91–3.07 Å. There are one shorter (3.52 Å) and three longer (3.53 Å) Zr–In bond lengths. There are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Zr, two Pd, and two In atoms. There are one shorter (2.92 Å) and one longer (3.20 Å) Pd–Pd bond lengths. There are one shorter (3.15 Å) and one longer (3.16 Å) Pd–In bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Zr, two Pd, and two In atoms. There are one shorter (2.92 Å) and one longer (3.19 Å) Pd–Pd bond lengths. There are one shorter (3.15 Å) and one longer (3.16 Å) Pd–In bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Zr, two Pd, and two In atoms. There are one shorter (2.91 Å) and one longer (3.20 Å) Pd–Pd bond lengths. Both Pd–In bond lengths are 3.16 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to six Zr, two Pd, and two In atoms. There are one shorter (3.15 Å) and one longer (3.17 Å) Pd–In bond lengths. In the fifth Pd site, Pd is bonded in a 10-coordinate geometry to six Zr, two Pd, and two In atoms. There are one shorter (3.15 Å) and one longer (3.17 Å) Pd–In bond lengths. In the sixth Pd site, Pd is bonded in a 10-coordinate geometry to six Zr, two Pd, and two In atoms. There are one shorter (2.91 Å) and one longer (3.20 Å) Pd–Pd bond lengths. There are one shorter (3.16 Å) and one longer (3.17 Å) Pd–In bond lengths. In the seventh Pd site, Pd is bonded in a 10-coordinate geometry to six Zr, two Pd, and two In atoms. There are one shorter (3.16 Å) and one longer (3.17 Å) Pd–In bond lengths. In the eighth Pd site, Pd is bonded in a 10-coordinate geometry to six Zr, two Pd, and two In atoms. There are one shorter (3.15 Å) and one longer (3.18 Å) Pd–In bond lengths. There are four inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to eight Zr and four Pd atoms. In the second In site, In is bonded in a 12-coordinate geometry to eight Zr and four Pd atoms. In the third In site, In is bonded in a 12-coordinate geometry to eight Zr and four Pd atoms. In the fourth In site, In is bonded in a 12-coordinate geometry to eight Zr and four Pd atoms.