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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErNi3 by Materials Project

ErNi3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.85 Å) and twelve longer (3.17 Å) Er–Ni bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Er–Ni bond distances ranging from 2.82–3.07 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Er and six equivalent Ni atoms to form NiEr6Ni6 cuboctahedra that share corners with twelve equivalent NiEr5Ni7 cuboctahedra, edges with six equivalent NiEr6Ni6 cuboctahedra, and faces with eighteen equivalent NiEr5Ni7 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Ni atoms. There are three shorter (2.44 Å) and three longer (2.45 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to five Er and seven Ni atoms to form distorted NiEr5Ni7 cuboctahedra that share corners with seventeen NiEr6Ni6 cuboctahedra, edges with eight equivalent NiEr5Ni7 cuboctahedra, and faces with fourteen NiEr6Ni6 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.48 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNi2 by Materials Project

ErNi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Er–Ni bond lengths are 2.95 Å. Ni is bonded to six equivalent Er and six equivalent Ni atoms to form a mixture of edge, face, and corner-sharing NiEr6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Ni17 by Materials Project

Er2Ni17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Er–Ni bond distances ranging from 2.81–3.11 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Er–Ni bond distances ranging from 2.89–3.21 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to three Er and nine Ni atoms to form distorted NiEr3Ni9 cuboctahedra that share corners with fifteen NiEr2Ni10 cuboctahedra, edges with eight NiEr3Ni9 cuboctahedra, and faces with ten NiEr3Ni9 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.39–2.59 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one Er and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.38–2.70 Å. In the third Ni site, Ni is bonded to two equivalent Er and ten Ni atoms to form a mixture of corner, edge, and face-sharing NiEr2Ni10 cuboctahedra. All Ni–Ni bond lengths are 2.38 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to two Er and ten Ni atoms. There are one shorter (2.35 Å) and one longer (2.50 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Ni2 by Materials Project

Er3Ni2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in an octahedral geometry to six equivalent Ni atoms. All Er–Ni bond lengths are 2.90 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Ni atoms. There are three shorter (2.76 Å) and three longer (2.91 Å) Er–Ni bond lengths. In the third Er site, Er is bonded in a 5-coordinate geometry to five equivalent Ni atoms. There are a spread of Er–Ni bond distances ranging from 2.81–3.30 Å. Ni is bonded in a 9-coordinate geometry to eight Er and one Ni atom. The Ni–Ni bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNi by Materials Project

ErNi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Er–Ni bond distances ranging from 2.84–2.90 Å. Ni is bonded in a 9-coordinate geometry to seven equivalent Er and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.50 Å.

36 MATERIALS SCIENCE↗