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DOE OSTI2020

Materials Data on ErInNi by Materials Project

ErNiIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Ni and six equivalent In atoms. There are four shorter (2.92 Å) and one longer (3.05 Å) Er–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.26 Å) Er–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Ni–In bond lengths are 2.81 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Ni–In bond lengths are 2.67 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Ni atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ErInNi4 by Materials Project

ErNi4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent In atoms. All Er–Ni bond lengths are 2.91 Å. All Er–In bond lengths are 3.04 Å. Ni is bonded to three equivalent Er, six equivalent Ni, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing NiEr3In3Ni6 cuboctahedra. There are three shorter (2.46 Å) and three longer (2.50 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗