Materials Data on TmNi2 by Materials Project

Abstract

TmNi2 is Cubic Laves structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are five inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Tm–Ni bond lengths are 2.95 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Tm–Ni bond lengths are 2.95 Å. In the third Tm site, Tm is bonded in a 12-coordinate geometry to twelve Ni atoms. All Tm–Ni bond lengths are 2.95 Å. In the fourth Tm site, Tm is bonded in a 12-coordinate geometry to twelve Ni atoms. All Tm–Ni bond lengths are 2.95 Å. In the fifth Tm site, Tm is bonded in a 12-coordinate geometry to twelve Ni atoms. There are two shorter (2.94 Å) and ten longer (2.95 Å) Tm–Ni bond lengths. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to six Tm and six Ni atoms to form a mixture of face, edge, and corner-sharing NiTm6Ni6 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.52 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to six Tm and six Ni atoms to form a mixture of face, edge, and corner-sharing NiTm6Ni6 cuboctahedra. There are three shorter (2.51 Å) and three longer (2.52 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to six Tm and six Ni atoms to form a mixture of face, edge, and corner-sharing NiTm6Ni6 cuboctahedra. There are four shorter (2.51 Å) and one longer (2.52 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded to six Tm and six Ni atoms to form a mixture of face, edge, and corner-sharing NiTm6Ni6 cuboctahedra. There are one shorter (2.51 Å) and two longer (2.52 Å) Ni–Ni bond lengths.