Materials Data on ZrNiH by Materials Project

ZrNiH crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to six equivalent Ni and four equivalent H atoms. There are four shorter (2.72 Å) and two longer (2.76 Å) Zr–Ni bond lengths. There are two shorter (2.17 Å) and two longer (2.20 Å) Zr–H bond lengths. Ni is bonded in a 10-coordinate geometry to six equivalent Zr, two equivalent Ni, and two equivalent H atoms. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–H bond lengths are 2.23 Å. H is bonded in a 6-coordinate geometry to four equivalent Zr and two equivalent Ni atoms.