Materials Data on TaCo2 by Materials Project

Abstract

Co2Ta is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to four equivalent Ta and twelve Co atoms. There are one shorter (2.87 Å) and three longer (2.93 Å) Ta–Ta bond lengths. There are a spread of Ta–Co bond distances ranging from 2.78–2.80 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Ta and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoTa6Co6 cuboctahedra. All Co–Co bond lengths are 2.38 Å. In the second Co site, Co is bonded to six equivalent Ta and six Co atoms to form a mixture of corner, edge, and face-sharing CoTa6Co6 cuboctahedra. There are two shorter (2.36 Å) and two longer (2.41 Å) Co–Co bond lengths.