Results for “Tb3Mg” | Engineering Papers

DOE OSTI2020

Materials Data on Tb3Mg by Materials Project

MgTb3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. All Mg–Tb bond lengths are 3.33 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to four equivalent Mg and four equivalent Tb atoms. All Tb–Tb bond lengths are 3.52 Å. In the second Tb site, Tb is bonded to twelve Tb atoms to form a mixture of corner and face-sharing TbTb12 cuboctahedra. All Tb–Tb bond lengths are 3.62 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Tb3Mg by Materials Project

MgTb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Tb atoms to form MgTb12 cuboctahedra that share corners with six equivalent MgTb12 cuboctahedra, corners with twelve equivalent TbTb8Mg4 cuboctahedra, edges with eighteen equivalent TbTb8Mg4 cuboctahedra, faces with eight equivalent MgTb12 cuboctahedra, and faces with twelve equivalent TbTb8Mg4 cuboctahedra. There are six shorter (3.41 Å) and six longer (3.52 Å) Mg–Tb bond lengths. Tb is bonded to four equivalent Mg and eight equivalent Tb atoms to form distorted TbTb8Mg4 cuboctahedra that share corners with four equivalent MgTb12 cuboctahedra, corners with fourteen equivalent TbTb8Mg4 cuboctahedra, edges with six equivalent MgTb12 cuboctahedra, edges with twelve equivalent TbTb8Mg4 cuboctahedra, faces with four equivalent MgTb12 cuboctahedra, and faces with sixteen equivalent TbTb8Mg4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.44–3.61 Å.

36 MATERIALS SCIENCE↗