Materials Data on KMg6Ni by Materials Project

KMg6Ni crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to twelve Mg and two equivalent Ni atoms. There are a spread of K–Mg bond distances ranging from 3.27–4.10 Å. Both K–Ni bond lengths are 3.60 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent K and one Ni atom. The Mg–Ni bond length is 2.60 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent K, six Mg, and two equivalent Ni atoms. There are four shorter (3.16 Å) and two longer (3.51 Å) Mg–Mg bond lengths. Both Mg–Ni bond lengths are 3.32 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to one K, two equivalent Mg, and two equivalent Ni atoms. Both Mg–Ni bond lengths are 2.71 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent K and two equivalent Mg atoms. Ni is bonded in a 6-coordinate geometry to two equivalent K and eight Mg atoms.