Materials Data on Tm3Np by Materials Project

Abstract

NpTm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded to twelve Tm atoms to form NpTm12 cuboctahedra that share corners with four equivalent NpTm12 cuboctahedra, corners with eight equivalent TmTm8Np4 cuboctahedra, edges with eight equivalent NpTm12 cuboctahedra, edges with sixteen equivalent TmTm8Np4 cuboctahedra, faces with four equivalent NpTm12 cuboctahedra, and faces with fourteen TmTm8Np4 cuboctahedra. There are four shorter (3.42 Å) and eight longer (3.47 Å) Np–Tm bond lengths. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Np and eight Tm atoms to form TmTm8Np4 cuboctahedra that share corners with twelve equivalent TmTm8Np4 cuboctahedra, edges with eight equivalent NpTm12 cuboctahedra, edges with sixteen TmTm8Np4 cuboctahedra, faces with four equivalent NpTm12 cuboctahedra, and faces with fourteen TmTm8Np4 cuboctahedra. There are four shorter (3.42 Å) and four longer (3.47 Å) Tm–Tm bond lengths. In the second Tm site, Tm is bonded to four equivalent Np and eight equivalent Tm atoms to form TmTm8Np4 cuboctahedra that share corners with four equivalent TmTm8Np4 cuboctahedra, corners with eight equivalent NpTm12 cuboctahedra, edges with twenty-four TmTm8Np4 cuboctahedra, faces with six equivalent NpTm12 cuboctahedra, and faces with twelve TmTm8Np4 cuboctahedra.