Materials Data on UNiAs by Materials Project

Abstract

UNiAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing UNi6As6 cuboctahedra. All U–Ni bond lengths are 2.91 Å. All U–As bond lengths are 3.07 Å. In the second U site, U is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing UNi6As6 cuboctahedra. All U–Ni bond lengths are 3.14 Å. All U–As bond lengths are 2.98 Å. Ni is bonded in a 3-coordinate geometry to six U and three equivalent As atoms. All Ni–As bond lengths are 2.35 Å. As is bonded in a 3-coordinate geometry to six U and three equivalent Ni atoms.