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DOE OSTI2020

Materials Data on Ho2Fe17 by Materials Project

Ho2Fe17 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 Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.97–3.28 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.94–3.20 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Ho and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.78 Å. In the second Fe site, Fe is bonded to two equivalent Ho and ten Fe atoms to form FeHo2Fe10 cuboctahedra that share corners with fourteen FeHo2Fe10 cuboctahedra, edges with six equivalent FeHo3Fe9 cuboctahedra, and faces with ten FeHo2Fe10 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.46 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Ho and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.59 Å. In the fourth Fe site, Fe is bonded to three Ho and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeHo3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.45 Å.

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Materials Data on YbHo3 by Materials Project

YbHo3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Ho atoms to form YbHo12 cuboctahedra that share corners with four equivalent YbHo12 cuboctahedra, corners with eight equivalent HoYb4Ho8 cuboctahedra, edges with eight equivalent YbHo12 cuboctahedra, edges with sixteen equivalent HoYb4Ho8 cuboctahedra, faces with four equivalent YbHo12 cuboctahedra, and faces with fourteen HoYb4Ho8 cuboctahedra. There are four shorter (3.56 Å) and eight longer (3.57 Å) Yb–Ho bond lengths. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Yb and eight Ho atoms to form HoYb4Ho8 cuboctahedra that share corners with twelve equivalent HoYb4Ho8 cuboctahedra, edges with eight equivalent YbHo12 cuboctahedra, edges with sixteen HoYb4Ho8 cuboctahedra, faces with four equivalent YbHo12 cuboctahedra, and faces with fourteen HoYb4Ho8 cuboctahedra. There are four shorter (3.56 Å) and four longer (3.57 Å) Ho–Ho bond lengths. In the second Ho site, Ho is bonded to four equivalent Yb and eight equivalent Ho atoms to form HoYb4Ho8 cuboctahedra that share corners with four equivalent HoYb4Ho8 cuboctahedra, corners with eight equivalent YbHo12 cuboctahedra, edges with twenty-four HoYb4Ho8 cuboctahedra, faces with six equivalent YbHo12 cuboctahedra, and faces with twelve HoYb4Ho8 cuboctahedra.

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Materials Data on Ho3(CoGe2)2 by Materials Project

Ho3(CoGe2)2 crystallizes in the monoclinic C2/m 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 four equivalent Co and eight Ge atoms. There are a spread of Ho–Co bond distances ranging from 2.86–3.20 Å. There are a spread of Ho–Ge bond distances ranging from 2.95–3.24 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to eight Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.96–3.32 Å. Co is bonded in a 4-coordinate geometry to four equivalent Ho and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.34–2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.96 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six Ho, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å.

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Materials Data on Ho5SbPd2 by Materials Project

Ho5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted HoSb2Pd4 octahedra that share corners with six equivalent HoSb2Pd4 octahedra, corners with sixteen equivalent HoSb2Pd3 trigonal bipyramids, and faces with eight equivalent HoSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Ho–Pd bond lengths are 3.00 Å. Both Ho–Sb bond lengths are 3.41 Å. In the second Ho site, Ho is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted HoSb2Pd3 trigonal bipyramids that share corners with four equivalent HoSb2Pd4 octahedra, corners with twelve equivalent HoSb2Pd3 trigonal bipyramids, edges with seven equivalent HoSb2Pd3 trigonal bipyramids, faces with two equivalent HoSb2Pd4 octahedra, and a faceface with one HoSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. There are one shorter (2.97 Å) and two longer (2.99 Å) Ho–Pd bond lengths. Both Ho–Sb bond lengths are 3.26 Å. Pd is bonded in a 8-coordinate geometry to eight Ho atoms. Sb is bonded in a distorted q6 geometry to ten Ho atoms.

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Materials Data on Ho3Ge4 by Materials Project

Ho3Ge4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.89–3.17 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.98–3.09 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.85 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ho and three Ge atoms.

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Materials Data on Ho2Si3Rh by Materials Project

Ho2RhSi3 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 to twelve equivalent Si atoms to form HoSi12 cuboctahedra that share edges with twelve equivalent HoSi8Rh4 cuboctahedra and faces with eight HoSi12 cuboctahedra. All Ho–Si bond lengths are 3.07 Å. In the second Ho site, Ho is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted face and edge-sharing HoSi8Rh4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.15 Å) Ho–Rh bond lengths. There are four shorter (3.02 Å) and four longer (3.11 Å) Ho–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Si atoms. All Rh–Si bond lengths are 2.37 Å. Si is bonded in a 1-coordinate geometry to six Ho, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å.

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Materials Data on HoNi3 by Materials Project

HoNi3 crystallizes in the trigonal R-3m 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 twelve Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.83–3.07 Å. In the second Ho site, Ho 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) Ho–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Ho and seven Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiHo5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.44–2.50 Å. In the second Ni site, Ni is bonded to six equivalent Ho and six equivalent Ni atoms to form NiHo6Ni6 cuboctahedra that share corners with twelve equivalent NiHo5Ni7 cuboctahedra, edges with six equivalent NiHo6Ni6 cuboctahedra, and faces with eighteen equivalent NiHo5Ni7 cuboctahedra. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Ni atoms.

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Materials Data on HoCo3 by Materials Project

HoCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.86 Å) and twelve longer (3.17 Å) Ho–Co bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Ho–Co bond distances ranging from 2.86–3.08 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Ho and six equivalent Co atoms to form CoHo6Co6 cuboctahedra that share corners with twelve equivalent CoHo5Co7 cuboctahedra, edges with six equivalent CoHo6Co6 cuboctahedra, and faces with eighteen equivalent CoHo5Co7 cuboctahedra. All Co–Co bond lengths are 2.53 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Co atoms. There are three shorter (2.42 Å) and three longer (2.47 Å) Co–Co bond lengths. In the third Co site, Co is bonded to five Ho and seven Co atoms to form CoHo5Co7 cuboctahedra that share corners with seventeen CoHo6Co6 cuboctahedra, edges with eight equivalent CoHo5Co7 cuboctahedra, and faces with fourteen CoHo6Co6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.50 Å) Co–Co bond lengths.

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Materials Data on HoFe3 by Materials Project

HoFe3 crystallizes in the trigonal R-3m 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 eighteen Fe atoms. There are six shorter (2.94 Å) and twelve longer (3.22 Å) Ho–Fe bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.94–3.05 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Ho and six equivalent Fe atoms to form FeHo6Fe6 cuboctahedra that share corners with twelve equivalent FeHo5Fe7 cuboctahedra, edges with six equivalent FeHo6Fe6 cuboctahedra, and faces with eighteen equivalent FeHo5Fe7 cuboctahedra. All Fe–Fe bond lengths are 2.54 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Fe atoms. There are three shorter (2.45 Å) and three longer (2.47 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to five Ho and seven Fe atoms to form FeHo5Fe7 cuboctahedra that share corners with seventeen FeHo6Fe6 cuboctahedra, edges with eight equivalent FeHo5Fe7 cuboctahedra, and faces with fourteen FeHo6Fe6 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.55 Å) Fe–Fe bond lengths.

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Materials Data on Ho3Ge5 by Materials Project

Ho3Ge5 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.95–3.47 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.94–3.46 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.60 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Ho and two equivalent Ge atoms. There are one shorter (2.58 Å) and one longer (2.63 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ho and three Ge atoms.

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Materials Data on Ho8Mg12Zn61 by Materials Project

Mg12Ho8Zn61 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to one Mg, two equivalent Ho, and twelve Zn atoms. The Mg–Mg bond length is 3.29 Å. Both Mg–Ho bond lengths are 3.37 Å. There are a spread of Mg–Zn bond distances ranging from 2.92–3.29 Å. Ho is bonded in a 12-coordinate geometry to three equivalent Mg, one Ho, and twelve Zn atoms. The Ho–Ho bond length is 3.09 Å. There are a spread of Ho–Zn bond distances ranging from 2.94–3.19 Å. There are six inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Mg, two equivalent Ho, and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.50–2.80 Å. In the second Zn site, Zn is bonded in a 11-coordinate geometry to two equivalent Mg, two equivalent Ho, and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–3.02 Å. In the third Zn site, Zn is bonded to two equivalent Mg, two equivalent Ho, and eight Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnHo2Mg2Zn8 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.62–3.01 Å. In the fourth Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms. In the fifth Zn site, Zn is bonded to four equivalent Mg and eight Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnMg4Zn8 cuboctahedra. There are one shorter (2.54 Å) and one longer (2.71 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Mg and eleven Zn atoms.

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Materials Data on Ho5NiPb3 by Materials Project

Ho5NiPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to two equivalent Ni and five equivalent Pb atoms. Both Ho–Ni bond lengths are 2.74 Å. There are a spread of Ho–Pb bond distances ranging from 3.18–3.66 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Ho–Pb bond lengths are 3.25 Å. Ni is bonded to six equivalent Ho atoms to form face-sharing NiHo6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ho atoms.

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Materials Data on RbHoHS2O9 by Materials Project

RbHoHS2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.31 Å. Ho is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ho–O bond distances ranging from 2.28–2.58 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb, one Ho, and one S atom. In the second O site, O is bonded in a 2-coordinate geometry to one Rb, one Ho, and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to one Rb, one Ho, and one H atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb, one Ho, and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Rb and one S atom. In the sixth O site, O is bonded in a 1-coordinate geometry to one Rb, one Ho, and one S atom. In the seventh O site, O is bonded in a 2-coordinate geometry to one Rb, one Ho, and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Rb, one Ho, and one S atom. In the ninth O site, O is bonded in a 1-coordinate geometry to one Rb, one Ho, and one S atom.

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Materials Data on Ho4Ga16Co3 by Materials Project

Ho4Co3Ga16 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share corners with eight equivalent HoGa12 cuboctahedra, edges with two equivalent GaHo4Ga8 cuboctahedra, faces with two equivalent GaHo4Ga8 cuboctahedra, faces with five equivalent HoGa12 cuboctahedra, and faces with two equivalent CoGa6 octahedra. There are a spread of Ho–Ga bond distances ranging from 2.99–3.03 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.49 Å. In the second Co site, Co is bonded to six Ga atoms to form CoGa6 octahedra that share corners with eight equivalent GaHo4Ga8 cuboctahedra and faces with eight equivalent HoGa12 cuboctahedra. There are four shorter (2.39 Å) and two longer (2.42 Å) Co–Ga bond lengths. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Ho, one Co, and four Ga atoms. All Ga–Ga bond lengths are 2.81 Å. In the second Ga site, Ga is bonded to four equivalent Ho and eight Ga atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with four equivalent GaHo4Ga8 cuboctahedra, corners with four equivalent CoGa6 octahedra, edges with four equivalent HoGa12 cuboctahedra, a faceface with one GaHo4Ga8 cuboctahedra, and faces with four equivalent HoGa12 cuboctahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.87 Å) and four longer (2.96 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Ho, one Co, and four Ga atoms. Both Ga–Ga bond lengths are 2.64 Å. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–3.01 Å. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–3.01 Å. In the sixth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–3.01 Å. In the seventh Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven Ga atoms. Both Ga–Ho bond lengths are 2.99 Å. There are one shorter (2.81 Å) and one longer (2.96 Å) Ga–Ga bond lengths.

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Materials Data on Ho2Ga3(Fe7C)2 by Materials Project

Ho2Ga3(Fe7C)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho is bonded in a distorted bent 120 degrees geometry to six Fe, three Ga, and two equivalent C atoms. There are a spread of Ho–Fe bond distances ranging from 3.03–3.31 Å. There are two shorter (3.32 Å) and one longer (3.38 Å) Ho–Ga bond lengths. Both Ho–C bond lengths are 2.51 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 1-coordinate geometry to one Ho, ten Fe, and three Ga atoms. There are a spread of Fe–Fe bond distances ranging from 2.32–2.78 Å. There are one shorter (2.65 Å) and two longer (2.66 Å) Fe–Ga bond lengths. In the second Fe site, Fe is bonded to three equivalent Ho, seven Fe, and two equivalent Ga atoms to form FeHo3Ga2Fe7 cuboctahedra that share corners with four equivalent FeHo3Ga2Fe7 cuboctahedra, corners with five GaHo2Fe10 cuboctahedra, corners with four equivalent CHo2Fe4 octahedra, an edgeedge with one FeHo3Ga2Fe7 cuboctahedra, edges with three GaHo2Fe10 cuboctahedra, a faceface with one FeHo3Ga2Fe7 cuboctahedra, faces with three GaHo2Fe10 cuboctahedra, and faces with two equivalent CHo2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 63–69°. There are a spread of Fe–Fe bond distances ranging from 2.50–2.60 Å. Both Fe–Ga bond lengths are 2.48 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe, two Ga, and one C atom. The Fe–Fe bond length is 2.61 Å. There are one shorter (2.49 Å) and one longer (2.50 Å) Fe–Ga bond lengths. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ho, eight Fe, and two equivalent Ga atoms. Both Fe–Fe bond lengths are 2.51 Å. Both Fe–Ga bond lengths are 2.46 Å. In the fifth Fe site, Fe is bonded in a single-bond geometry to four Fe, two Ga, and one C atom. There are one shorter (2.44 Å) and one longer (2.45 Å) Fe–Ga bond lengths. The Fe–C bond length is 1.84 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Ho and ten Fe atoms to form distorted GaHo2Fe10 cuboctahedra that share corners with four equivalent GaHo2Fe10 cuboctahedra, corners with six equivalent FeHo3Ga2Fe7 cuboctahedra, edges with two equivalent FeHo3Ga2Fe7 cuboctahedra, faces with two equivalent FeHo3Ga2Fe7 cuboctahedra, faces with four equivalent GaHo2Fe10 cuboctahedra, and faces with four equivalent CHo2Fe4 octahedra. In the second Ga site, Ga is bonded to two equivalent Ho and ten Fe atoms to form distorted GaHo2Fe10 cuboctahedra that share corners with two equivalent FeHo3Ga2Fe7 cuboctahedra, corners with four GaHo2Fe10 cuboctahedra, corners with two equivalent CHo2Fe4 octahedra, edges with two equivalent FeHo3Ga2Fe7 cuboctahedra, faces with two equivalent FeHo3Ga2Fe7 cuboctahedra, faces with four GaHo2Fe10 cuboctahedra, and faces with two equivalent CHo2Fe4 octahedra. The corner-sharing octahedral tilt angles are 46°. C is bonded to two equivalent Ho and four Fe atoms to form CHo2Fe4 octahedra that share corners with two equivalent GaHo2Fe10 cuboctahedra, corners with four equivalent FeHo3Ga2Fe7 cuboctahedra, corners with two equivalent CHo2Fe4 octahedra, faces with two equivalent FeHo3Ga2Fe7 cuboctahedra, and faces with four GaHo2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 63°.

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Materials Data on HoAl7Fe5 by Materials Project

HoFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of Ho–Fe bond distances ranging from 3.19–3.33 Å. There are a spread of Ho–Al bond distances ranging from 2.88–3.19 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ho, three Fe, and seven Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.53 Å. There are a spread of Fe–Al bond distances ranging from 2.48–2.66 Å. In the second Fe site, Fe is bonded to two equivalent Ho, four equivalent Fe, and six Al atoms to form distorted edge-sharing FeHo2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.61–2.69 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ho, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.83 Å. In the second Al site, Al is bonded in a 7-coordinate geometry to one Ho, six Fe, and three Al atoms. Both Al–Al bond lengths are 2.88 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one Ho, five Fe, and four Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.80 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.69 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, five Fe, and five Al atoms.

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Materials Data on HoZnSn by Materials Project

HoZnSn 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 six equivalent Zn and six equivalent Sn atoms. All Ho–Zn bond lengths are 2.98 Å. All Ho–Sn bond lengths are 3.39 Å. In the second Ho site, Ho is bonded to six equivalent Sn atoms to form distorted edge-sharing HoSn6 octahedra. All Ho–Sn bond lengths are 3.14 Å. Zn is bonded in a 10-coordinate geometry to three equivalent Ho and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.72 Å. Sn is bonded in a 6-coordinate geometry to six Ho and three equivalent Zn atoms.

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Materials Data on HoTiFe11 by Materials Project

HoFe11Ti crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to one Ti and nineteen Fe atoms. The Ho–Ti bond length is 3.16 Å. There are a spread of Ho–Fe bond distances ranging from 2.95–3.26 Å. Ti is bonded in a 1-coordinate geometry to one Ho and thirteen Fe atoms. There are a spread of Ti–Fe bond distances ranging from 2.36–2.88 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ho, one Ti, and nine Fe atoms to form distorted FeHo2TiFe9 cuboctahedra that share corners with twelve FeHo2TiFe9 cuboctahedra, edges with five FeHo2Fe10 cuboctahedra, and faces with eight FeHo2TiFe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.35–2.60 Å. In the second Fe site, Fe is bonded to two equivalent Ho and ten Fe atoms to form distorted FeHo2Fe10 cuboctahedra that share corners with eight equivalent FeHo2TiFe9 cuboctahedra, edges with six FeHo2Fe10 cuboctahedra, and faces with eight equivalent FeHo2TiFe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.59–2.70 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ho, two equivalent Ti, and eight Fe atoms. There are two shorter (2.64 Å) and two longer (2.67 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ho, one Ti, and nine Fe atoms. There are two shorter (2.62 Å) and one longer (2.66 Å) Fe–Fe bond lengths. In the fifth Fe site, Fe is bonded in a 1-coordinate geometry to one Ho, one Ti, and twelve Fe atoms. All Fe–Fe bond lengths are 2.92 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to one Ho, two equivalent Ti, and eleven Fe atoms. The Fe–Fe bond length is 2.43 Å.

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