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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er2CuNi by Materials Project

Er2NiCu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to four equivalent Ni and three equivalent Cu atoms. All Er–Ni bond lengths are 2.93 Å. There are two shorter (2.81 Å) and one longer (2.92 Å) Er–Cu bond lengths. In the second Er site, Er is bonded in a 7-coordinate geometry to three equivalent Ni and four equivalent Cu atoms. There are two shorter (2.83 Å) and one longer (2.89 Å) Er–Ni bond lengths. All Er–Cu bond lengths are 2.93 Å. Ni is bonded in a 9-coordinate geometry to seven Er and two equivalent Cu atoms. Both Ni–Cu bond lengths are 2.61 Å. Cu is bonded in a 9-coordinate geometry to seven Er and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCuNi by Materials Project

ErNiCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Cu atoms. All Er–Ni bond lengths are 2.99 Å. There are two shorter (3.00 Å) and four longer (3.03 Å) Er–Cu bond lengths. Ni is bonded to six equivalent Er, two equivalent Ni, and four equivalent Cu atoms to form NiEr6Cu4Ni2 cuboctahedra that share corners with eight equivalent CuEr6Cu2Ni4 cuboctahedra, corners with ten equivalent NiEr6Cu4Ni2 cuboctahedra, edges with six equivalent NiEr6Cu4Ni2 cuboctahedra, faces with six equivalent NiEr6Cu4Ni2 cuboctahedra, and faces with twelve equivalent CuEr6Cu2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.61 Å. All Ni–Cu bond lengths are 2.56 Å. Cu is bonded to six equivalent Er, four equivalent Ni, and two equivalent Cu atoms to form CuEr6Cu2Ni4 cuboctahedra that share corners with eight equivalent NiEr6Cu4Ni2 cuboctahedra, corners with ten equivalent CuEr6Cu2Ni4 cuboctahedra, edges with six equivalent CuEr6Cu2Ni4 cuboctahedra, faces with six equivalent CuEr6Cu2Ni4 cuboctahedra, and faces with twelve equivalent NiEr6Cu4Ni2 cuboctahedra. Both Cu–Cu bond lengths are 2.54 Å.

36 MATERIALS SCIENCE↗