Materials Data on YbIn4Ni by Materials Project

Abstract

YbNiIn4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen In atoms. There are one shorter (3.25 Å) and one longer (3.29 Å) Yb–Ni bond lengths. There are a spread of Yb–In bond distances ranging from 3.25–3.83 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to two equivalent Ni and thirteen In atoms. Both Yb–Ni bond lengths are 3.25 Å. There are a spread of Yb–In bond distances ranging from 3.26–3.86 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.62–2.76 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.62–2.77 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to three Yb, one Ni, and four In atoms. There are a spread of In–In bond distances ranging from 3.09–3.15 Å. In the second In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and one In atom. The In–In bond length is 3.12 Å. In the third In site, In is bonded in a 2-coordinate geometry to three Yb, one Ni, and four In atoms. There are a spread of In–In bond distances ranging from 3.09–3.12 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and one In atom. The In–In bond length is 3.15 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and one In atom. The In–In bond length is 3.13 Å. In the sixth In site, In is bonded in a distorted q6 geometry to four Yb and six In atoms. The In–In bond length is 3.11 Å. In the seventh In site, In is bonded in a distorted q6 geometry to four Yb and six In atoms. In the eighth In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and one In atom.