Results for “Co-Ga-Ti” | Engineering Papers

DOE OSTI2020

Materials Data on TiGaCo2 by Materials Project

Co2TiGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Co and six equivalent Ga atoms. All Ti–Co bond lengths are 2.53 Å. All Ti–Ga bond lengths are 2.92 Å. Co is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ga atoms. All Co–Ga bond lengths are 2.53 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TiGa5Co by Materials Project

TiCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to twelve Ga atoms to form TiGa12 cuboctahedra that share corners with four equivalent TiGa12 cuboctahedra, faces with four equivalent TiGa12 cuboctahedra, and faces with four equivalent GaTi4Ga8 cuboctahedra. There are eight shorter (2.82 Å) and four longer (2.89 Å) Ti–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Ti, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.89 Å. In the second Ga site, Ga is bonded to four equivalent Ti and eight equivalent Ga atoms to form GaTi4Ga8 cuboctahedra that share corners with four equivalent GaTi4Ga8 cuboctahedra, faces with four equivalent TiGa12 cuboctahedra, and faces with four equivalent GaTi4Ga8 cuboctahedra.

36 MATERIALS SCIENCE↗