Materials Data on YIn5Co by Materials Project

Abstract

YCoIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Y is bonded to twelve In atoms to form YIn12 cuboctahedra that share corners with four equivalent YIn12 cuboctahedra, faces with four equivalent YIn12 cuboctahedra, and faces with four equivalent InY4In8 cuboctahedra. There are four shorter (3.19 Å) and eight longer (3.20 Å) Y–In bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Co–In bond lengths are 2.67 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Y and eight equivalent In atoms to form distorted InY4In8 cuboctahedra that share corners with four equivalent InY4In8 cuboctahedra, faces with four equivalent YIn12 cuboctahedra, and faces with four equivalent InY4In8 cuboctahedra. All In–In bond lengths are 3.20 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Y, two equivalent Co, and seven In atoms. There are one shorter (2.86 Å) and four longer (3.19 Å) In–In bond lengths.