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Materials Data on Ho2(CoNi)5 by Materials Project

Ho2(CoNi)5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six Co and twelve Ni atoms. There are four shorter (2.83 Å) and two longer (2.86 Å) Ho–Co bond lengths. There are eight shorter (3.14 Å) and four longer (3.15 Å) Ho–Ni bond lengths. In the second Ho site, Ho is bonded in a 6-coordinate geometry to ten Co and eight equivalent Ni atoms. There are a spread of Ho–Co bond distances ranging from 2.81–3.15 Å. All Ho–Ni bond lengths are 3.14 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three Ho, two equivalent Co, and four equivalent Ni atoms. Both Co–Co bond lengths are 2.40 Å. All Co–Ni bond lengths are 2.44 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three Ho and six Ni atoms. There are four shorter (2.42 Å) and two longer (2.43 Å) Co–Ni bond lengths. In the third Co site, Co is bonded to four equivalent Ho, four equivalent Co, and four equivalent Ni atoms to form CoHo4Co4Ni4 cuboctahedra that share corners with four equivalent CoHo4Co4Ni4 cuboctahedra, corners with twelve NiHo4Co5Ni3 cuboctahedra, edges with two equivalent CoHo4Co4Ni4 cuboctahedra, edges with eight equivalent NiHo4Co5Ni3 cuboctahedra, faces with two equivalent CoHo4Co4Ni4 cuboctahedra, and faces with eight equivalent NiHo4Co5Ni3 cuboctahedra. All Co–Ni bond lengths are 2.45 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Ho, four equivalent Co, and four equivalent Ni atoms to form NiHo4Co4Ni4 cuboctahedra that share corners with four equivalent CoHo4Co4Ni4 cuboctahedra, corners with twelve NiHo4Co5Ni3 cuboctahedra, edges with ten NiHo4Co5Ni3 cuboctahedra, and faces with ten NiHo4Co4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.45 Å. In the second Ni site, Ni is bonded to four Ho, five Co, and three Ni atoms to form NiHo4Co5Ni3 cuboctahedra that share corners with two equivalent CoHo4Co4Ni4 cuboctahedra, corners with fourteen NiHo4Co4Ni4 cuboctahedra, edges with two equivalent CoHo4Co4Ni4 cuboctahedra, edges with eight NiHo4Co4Ni4 cuboctahedra, faces with two equivalent CoHo4Co4Ni4 cuboctahedra, and faces with eight NiHo4Co4Ni4 cuboctahedra. There are one shorter (2.44 Å) and one longer (2.46 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Ho2Co12Ni5 by Materials Project

Ho2Co12Ni5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Ho–Co bond distances ranging from 2.94–3.20 Å. In the second Ho site, Ho 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) Ho–Co bond lengths. There are two shorter (2.80 Å) and six longer (3.12 Å) Ho–Ni bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to two Ho, six Co, and four Ni atoms to form distorted CoHo2Co6Ni4 cuboctahedra that share corners with four equivalent NiHo2Co8Ni2 cuboctahedra, corners with twenty CoHo2Co6Ni4 cuboctahedra, edges with two equivalent NiHo2Co8Ni2 cuboctahedra, edges with three CoHo3Co6Ni3 cuboctahedra, faces with four equivalent NiHo2Co8Ni2 cuboctahedra, and faces with seventeen CoHo2Co6Ni4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.30–2.53 Å. There are two shorter (2.38 Å) and two longer (2.67 Å) Co–Ni bond lengths. In the second Co site, Co is bonded to three Ho, six Co, and three Ni atoms to form distorted CoHo3Co6Ni3 cuboctahedra that share corners with five equivalent NiHo2Co8Ni2 cuboctahedra, corners with eighteen CoHo3Co6Ni3 cuboctahedra, edges with three equivalent NiHo2Co8Ni2 cuboctahedra, edges with seven CoHo3Co6Ni3 cuboctahedra, faces with two equivalent NiHo2Co8Ni2 cuboctahedra, and faces with eighteen CoHo2Co6Ni4 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 Ho, eight Co, and two equivalent Ni atoms to form NiHo2Co8Ni2 cuboctahedra that share corners with four equivalent NiHo2Co8Ni2 cuboctahedra, corners with eighteen CoHo3Co6Ni3 cuboctahedra, edges with ten CoHo3Co6Ni3 cuboctahedra, faces with six equivalent NiHo2Co8Ni2 cuboctahedra, and faces with twelve CoHo2Co6Ni4 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 Ho, nine Co, and four Ni atoms. The Ni–Ni bond length is 2.42 Å.

36 MATERIALS SCIENCE↗

Materials Data on HoCo3Ni2 by Materials Project

HoCo3Ni2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded in a distorted hexagonal planar geometry to twelve equivalent Co and six equivalent Ni atoms. All Ho–Co bond lengths are 3.14 Å. All Ho–Ni bond lengths are 2.79 Å. Co is bonded to four equivalent Ho, four equivalent Co, and four equivalent Ni atoms to form CoHo4Co4Ni4 cuboctahedra that share corners with eight equivalent NiHo3Co6 cuboctahedra, corners with sixteen equivalent CoHo4Co4Ni4 cuboctahedra, edges with eight equivalent NiHo3Co6 cuboctahedra, edges with ten equivalent CoHo4Co4Ni4 cuboctahedra, faces with four equivalent NiHo3Co6 cuboctahedra, and faces with ten equivalent CoHo4Co4Ni4 cuboctahedra. All Co–Co bond lengths are 2.42 Å. All Co–Ni bond lengths are 2.45 Å. Ni is bonded to three equivalent Ho and six equivalent Co atoms to form distorted NiHo3Co6 cuboctahedra that share corners with twelve equivalent CoHo4Co4Ni4 cuboctahedra, corners with fifteen equivalent NiHo3Co6 cuboctahedra, edges with twelve equivalent CoHo4Co4Ni4 cuboctahedra, faces with five equivalent NiHo3Co6 cuboctahedra, and faces with six equivalent CoHo4Co4Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on HoCo4Ni by Materials Project

HoCo4Ni crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to fifteen Co and three equivalent Ni atoms. There are three shorter (2.83 Å) and twelve longer (3.15 Å) Ho–Co bond lengths. All Ho–Ni bond lengths are 2.83 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ho, six equivalent Co, and three equivalent Ni atoms to form distorted CoHo3Co6Ni3 cuboctahedra that share corners with nine equivalent NiHo3Co9 cuboctahedra, corners with twelve equivalent CoHo4Co6Ni2 cuboctahedra, edges with six equivalent CoHo3Co6Ni3 cuboctahedra, faces with three equivalent NiHo3Co9 cuboctahedra, and faces with twenty CoHo3Co6Ni3 cuboctahedra. All Co–Co bond lengths are 2.43 Å. All Co–Ni bond lengths are 2.83 Å. In the second Co site, Co is bonded to four equivalent Ho, six Co, and two equivalent Ni atoms to form CoHo4Co6Ni2 cuboctahedra that share corners with four equivalent NiHo3Co9 cuboctahedra, corners with twenty CoHo3Co6Ni3 cuboctahedra, edges with ten equivalent CoHo4Co6Ni2 cuboctahedra, faces with six equivalent NiHo3Co9 cuboctahedra, and faces with sixteen CoHo3Co6Ni3 cuboctahedra. There are two shorter (2.43 Å) and two longer (2.47 Å) Co–Co bond lengths. Both Co–Ni bond lengths are 2.42 Å. Ni is bonded to three equivalent Ho and nine Co atoms to form distorted NiHo3Co9 cuboctahedra that share corners with twenty-one CoHo3Co6Ni3 cuboctahedra, edges with six equivalent NiHo3Co9 cuboctahedra, faces with two equivalent NiHo3Co9 cuboctahedra, and faces with twenty-one CoHo3Co6Ni3 cuboctahedra.

36 MATERIALS SCIENCE↗