Materials Data on Tb3Pm by Materials Project

Abstract

Tb3Pm is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight equivalent Tb and four equivalent Pm atoms to form TbTb8Pm4 cuboctahedra that share corners with four equivalent PmTb12 cuboctahedra, corners with fourteen TbTb8Pm4 cuboctahedra, edges with six equivalent PmTb12 cuboctahedra, edges with twelve equivalent TbTb8Pm4 cuboctahedra, faces with four equivalent PmTb12 cuboctahedra, and faces with sixteen TbTb8Pm4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.58–3.65 Å. There are two shorter (3.59 Å) and two longer (3.63 Å) Tb–Pm bond lengths. In the second Tb site, Tb is bonded to eight Tb and four equivalent Pm atoms to form TbTb8Pm4 cuboctahedra that share corners with four equivalent PmTb12 cuboctahedra, corners with fourteen TbTb8Pm4 cuboctahedra, edges with six equivalent PmTb12 cuboctahedra, edges with twelve TbTb8Pm4 cuboctahedra, faces with four equivalent PmTb12 cuboctahedra, and faces with sixteen TbTb8Pm4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.58–3.65 Å. There are two shorter (3.59 Å) and two longer (3.63 Å) Tb–Pm bond lengths. Pm is bonded to twelve Tb atoms to form PmTb12 cuboctahedra that share corners with six equivalent PmTb12 cuboctahedra, corners with twelve equivalent TbTb8Pm4 cuboctahedra, edges with eighteen TbTb8Pm4 cuboctahedra, faces with eight equivalent PmTb12 cuboctahedra, and faces with twelve TbTb8Pm4 cuboctahedra.