Materials Data on ErTc2 by Materials Project

Abstract

ErTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Tc atoms. There are a spread of Er–Tc bond distances ranging from 3.14–3.16 Å. There are two inequivalent Tc sites. In the first Tc site, Tc is bonded to six equivalent Er and six equivalent Tc atoms to form a mixture of edge, corner, and face-sharing TcEr6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.73 Å. In the second Tc site, Tc is bonded to six equivalent Er and six Tc atoms to form a mixture of edge, corner, and face-sharing TcEr6Tc6 cuboctahedra. There are two shorter (2.60 Å) and two longer (2.76 Å) Tc–Tc bond lengths.