Materials Data on PrNiP by Materials Project
PrNiP 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 Pr sites. In the first Pr site, Pr is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing PrNi6P6 cuboctahedra. All Pr–Ni bond lengths are 3.08 Å. All Pr–P bond lengths are 3.07 Å. In the second Pr site, Pr is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing PrNi6P6 cuboctahedra. All Pr–Ni bond lengths are 3.06 Å. All Pr–P bond lengths are 3.07 Å. Ni is bonded in a distorted trigonal planar geometry to six Pr and three equivalent P atoms. All Ni–P bond lengths are 2.30 Å. P is bonded in a 3-coordinate geometry to six Pr and three equivalent Ni atoms.