Materials Data on TmNiP by Materials Project

Abstract

TmNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing TmNi6P6 cuboctahedra. All Tm–Ni bond lengths are 2.95 Å. All Tm–P bond lengths are 2.89 Å. In the second Tm site, Tm is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing TmNi6P6 cuboctahedra. All Tm–Ni bond lengths are 2.88 Å. All Tm–P bond lengths are 2.95 Å. Ni is bonded in a 3-coordinate geometry to six Tm and three equivalent P atoms. All Ni–P bond lengths are 2.23 Å. P is bonded in a 3-coordinate geometry to six Tm and three equivalent Ni atoms.