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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↗

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↗

Materials Data on Er2InNi2 by Materials Project

Er2Ni2In crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.79 Å) and two longer (2.91 Å) Er–Ni bond lengths. All Er–In bond lengths are 3.31 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Er, two equivalent Ni, and one In atom. Both Ni–Ni bond lengths are 2.43 Å. The Ni–In bond length is 2.82 Å. In is bonded in a distorted q6 geometry to eight equivalent Er and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗

Materials Data on Er5InNi2 by Materials Project

Er5Ni2In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Ni and two equivalent In atoms to form distorted ErIn2Ni4 octahedra that share corners with six equivalent ErIn2Ni4 octahedra, corners with sixteen equivalent ErIn2Ni3 trigonal bipyramids, and faces with eight equivalent ErIn2Ni3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–53°. All Er–Ni bond lengths are 3.01 Å. Both Er–In bond lengths are 3.34 Å. In the second Er site, Er is bonded to three equivalent Ni and two equivalent In atoms to form distorted ErIn2Ni3 trigonal bipyramids that share corners with four equivalent ErIn2Ni4 octahedra, corners with twelve equivalent ErIn2Ni3 trigonal bipyramids, edges with seven equivalent ErIn2Ni3 trigonal bipyramids, faces with two equivalent ErIn2Ni4 octahedra, and a faceface with one ErIn2Ni3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 41–62°. There are two shorter (2.83 Å) and one longer (2.92 Å) Er–Ni bond lengths. Both Er–In bond lengths are 3.24 Å. Ni is bonded in a 9-coordinate geometry to eight Er and one Ni atom. The Ni–Ni bond length is 2.66 Å. In is bonded in a distorted q6 geometry to ten Er atoms.

36 MATERIALS SCIENCE↗

Materials Data on Er2InNi2 by Materials Project

Er2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.79 Å) and four longer (2.82 Å) Er–Ni bond lengths. All Er–In bond lengths are 3.24 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Er, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.47 Å. Both Ni–In bond lengths are 2.92 Å. In is bonded to eight equivalent Er and four equivalent Ni atoms to form a mixture of face and corner-sharing InEr8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗