Materials Data on Nb3SiSnMo3 by Materials Project

Abstract

Nb3Mo3SnSi crystallizes in the trigonal R3 space group. The structure is three-dimensional. Nb is bonded in a 2-coordinate geometry to two equivalent Mo, two equivalent Sn, and two equivalent Si atoms. There are one shorter (2.51 Å) and one longer (2.62 Å) Nb–Mo bond lengths. There are one shorter (2.87 Å) and one longer (2.89 Å) Nb–Sn bond lengths. There are one shorter (2.85 Å) and one longer (2.86 Å) Nb–Si bond lengths. Mo is bonded in a 2-coordinate geometry to two equivalent Nb, two equivalent Sn, and two equivalent Si atoms. There are one shorter (2.87 Å) and one longer (2.88 Å) Mo–Sn bond lengths. There are one shorter (2.85 Å) and one longer (2.86 Å) Mo–Si bond lengths. Sn is bonded to six equivalent Nb and six equivalent Mo atoms to form SnNb6Mo6 cuboctahedra that share edges with six equivalent SnNb6Mo6 cuboctahedra and faces with eight equivalent SiNb6Mo6 cuboctahedra. Si is bonded to six equivalent Nb and six equivalent Mo atoms to form SiNb6Mo6 cuboctahedra that share edges with six equivalent SiNb6Mo6 cuboctahedra and faces with eight equivalent SnNb6Mo6 cuboctahedra.