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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er2Co12Ni5 by Materials Project

Er2Co12Ni5 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 12-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.93–3.21 Å. In the second Er site, Er is bonded in a 2-coordinate geometry to twelve Co and eight Ni atoms. There are six shorter (3.01 Å) and six longer (3.05 Å) Er–Co bond lengths. There are two shorter (2.81 Å) and six longer (3.13 Å) Er–Ni bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to two Er, six Co, and four Ni atoms to form distorted CoEr2Co6Ni4 cuboctahedra that share corners with four equivalent NiEr2Co8Ni2 cuboctahedra, corners with twenty CoEr2Co6Ni4 cuboctahedra, edges with two equivalent NiEr2Co8Ni2 cuboctahedra, edges with three CoEr3Co6Ni3 cuboctahedra, faces with four equivalent NiEr2Co8Ni2 cuboctahedra, and faces with seventeen CoEr2Co6Ni4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.30–2.53 Å. There are two shorter (2.39 Å) and two longer (2.68 Å) Co–Ni bond lengths. In the second Co site, Co is bonded to three Er, six Co, and three Ni atoms to form distorted CoEr3Co6Ni3 cuboctahedra that share corners with five equivalent NiEr2Co8Ni2 cuboctahedra, corners with eighteen CoEr3Co6Ni3 cuboctahedra, edges with three equivalent NiEr2Co8Ni2 cuboctahedra, edges with seven CoEr3Co6Ni3 cuboctahedra, faces with two equivalent NiEr2Co8Ni2 cuboctahedra, and faces with eighteen CoEr2Co6Ni4 cuboctahedra. Both Co–Co bond lengths are 2.36 Å. There are two shorter (2.43 Å) and one longer (2.65 Å) Co–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Er, eight Co, and two equivalent Ni atoms to form NiEr2Co8Ni2 cuboctahedra that share corners with four equivalent NiEr2Co8Ni2 cuboctahedra, corners with eighteen CoEr3Co6Ni3 cuboctahedra, edges with ten CoEr3Co6Ni3 cuboctahedra, faces with six equivalent NiEr2Co8Ni2 cuboctahedra, and faces with twelve CoEr2Co6Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. In the second Ni site, Ni is bonded in a 1-coordinate geometry to one Er, nine Co, and four Ni atoms. The Ni–Ni bond length is 2.43 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCoNi by Materials Project

ErCoNi 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 Co and six equivalent Ni atoms. There are four shorter (2.93 Å) and two longer (2.94 Å) Er–Co bond lengths. There are four shorter (2.92 Å) and two longer (2.96 Å) Er–Ni bond lengths. Co is bonded to six equivalent Er, two equivalent Co, and four equivalent Ni atoms to form CoEr6Co2Ni4 cuboctahedra that share corners with eight equivalent NiEr6Co4Ni2 cuboctahedra, corners with ten equivalent CoEr6Co2Ni4 cuboctahedra, edges with six equivalent CoEr6Co2Ni4 cuboctahedra, faces with six equivalent CoEr6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiEr6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.50 Å. All Co–Ni bond lengths are 2.51 Å. Ni is bonded to six equivalent Er, four equivalent Co, and two equivalent Ni atoms to form NiEr6Co4Ni2 cuboctahedra that share corners with eight equivalent CoEr6Co2Ni4 cuboctahedra, corners with ten equivalent NiEr6Co4Ni2 cuboctahedra, edges with six equivalent NiEr6Co4Ni2 cuboctahedra, faces with six equivalent NiEr6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoEr6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCo3Ni2 by Materials Project

ErCo3Ni2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a distorted hexagonal planar geometry to twelve equivalent Co and six equivalent Ni atoms. All Er–Co bond lengths are 3.14 Å. All Er–Ni bond lengths are 2.78 Å. Co is bonded to four equivalent Er, four equivalent Co, and four equivalent Ni atoms to form CoEr4Co4Ni4 cuboctahedra that share corners with eight equivalent NiEr3Co6 cuboctahedra, corners with sixteen equivalent CoEr4Co4Ni4 cuboctahedra, edges with eight equivalent NiEr3Co6 cuboctahedra, edges with ten equivalent CoEr4Co4Ni4 cuboctahedra, faces with four equivalent NiEr3Co6 cuboctahedra, and faces with ten equivalent CoEr4Co4Ni4 cuboctahedra. All Co–Co bond lengths are 2.41 Å. All Co–Ni bond lengths are 2.45 Å. Ni is bonded to three equivalent Er and six equivalent Co atoms to form distorted NiEr3Co6 cuboctahedra that share corners with twelve equivalent CoEr4Co4Ni4 cuboctahedra, corners with fifteen equivalent NiEr3Co6 cuboctahedra, edges with twelve equivalent CoEr4Co4Ni4 cuboctahedra, faces with five equivalent NiEr3Co6 cuboctahedra, and faces with six equivalent CoEr4Co4Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗