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DOE OSTI2020

Materials Data on HoBiRh by Materials Project

HoRhBi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Rh and six equivalent Bi atoms. There are one shorter (3.07 Å) and four longer (3.08 Å) Ho–Rh bond lengths. There are two shorter (3.25 Å) and four longer (3.36 Å) Ho–Bi bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Bi atoms. All Rh–Bi bond lengths are 2.84 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Bi atoms. All Rh–Bi bond lengths are 2.86 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Ho and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoFeNi4 by Materials Project

HoFeNi4 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to three equivalent Fe and fifteen Ni atoms. All Ho–Fe bond lengths are 2.83 Å. There are three shorter (2.83 Å) and twelve longer (3.15 Å) Ho–Ni bond lengths. Fe is bonded to three equivalent Ho and nine Ni atoms to form distorted FeHo3Ni9 cuboctahedra that share corners with twenty-one NiHo3Fe3Ni6 cuboctahedra, edges with six equivalent FeHo3Ni9 cuboctahedra, faces with two equivalent FeHo3Ni9 cuboctahedra, and faces with twenty-one NiHo3Fe3Ni6 cuboctahedra. There are six shorter (2.43 Å) and three longer (2.83 Å) Fe–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Ho, three equivalent Fe, and six equivalent Ni atoms to form distorted NiHo3Fe3Ni6 cuboctahedra that share corners with nine equivalent FeHo3Ni9 cuboctahedra, corners with twelve equivalent NiHo4Fe2Ni6 cuboctahedra, edges with six equivalent NiHo3Fe3Ni6 cuboctahedra, faces with three equivalent FeHo3Ni9 cuboctahedra, and faces with twenty NiHo3Fe3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.42 Å. In the second Ni site, Ni is bonded to four equivalent Ho, two equivalent Fe, and six Ni atoms to form NiHo4Fe2Ni6 cuboctahedra that share corners with four equivalent FeHo3Ni9 cuboctahedra, corners with twenty NiHo3Fe3Ni6 cuboctahedra, edges with ten equivalent NiHo4Fe2Ni6 cuboctahedra, faces with six equivalent FeHo3Ni9 cuboctahedra, and faces with sixteen NiHo3Fe3Ni6 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.46 Å) Ni–Ni bond lengths.

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DOE OSTI2020

Materials Data on TbHo3 by Materials Project

Ho3Tb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Tb atoms to form HoTb4Ho8 cuboctahedra that share corners with twelve equivalent HoTb4Ho8 cuboctahedra, edges with eight equivalent TbHo12 cuboctahedra, edges with sixteen equivalent HoTb4Ho8 cuboctahedra, faces with four equivalent TbHo12 cuboctahedra, and faces with fourteen equivalent HoTb4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.53 Å. All Ho–Tb bond lengths are 3.53 Å. Tb is bonded to twelve equivalent Ho atoms to form TbHo12 cuboctahedra that share corners with twelve equivalent TbHo12 cuboctahedra, edges with twenty-four equivalent HoTb4Ho8 cuboctahedra, faces with six equivalent TbHo12 cuboctahedra, and faces with twelve equivalent HoTb4Ho8 cuboctahedra.

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Materials Data on HoGa3Ru by Materials Project

HoRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Ho–Ru bond lengths are 3.21 Å. There are eight shorter (2.95 Å) and two longer (3.21 Å) Ho–Ga bond lengths. Ru is bonded to four equivalent Ho and eight equivalent Ga atoms to form distorted RuHo4Ga8 cuboctahedra that share corners with four equivalent RuHo4Ga8 cuboctahedra, edges with four equivalent GaHo6 octahedra, and faces with eight equivalent RuHo4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ho atoms to form GaHo6 octahedra that share corners with six equivalent GaHo6 octahedra and edges with twelve equivalent RuHo4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ho, three equivalent Ru, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.

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Materials Data on HoSiNi4 by Materials Project

HoNi4Si is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Si atoms. There are a spread of Ho–Ni bond distances ranging from 2.79–3.10 Å. All Ho–Si bond lengths are 3.20 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho, five Ni, and two equivalent Si atoms. There are four shorter (2.46 Å) and one longer (2.56 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.35 Å. In the second Ni site, Ni is bonded to four equivalent Ho, six Ni, and two equivalent Si atoms to form NiHo4Si2Ni6 cuboctahedra that share corners with four equivalent SiHo4Ni8 cuboctahedra, corners with twelve equivalent NiHo4Si2Ni6 cuboctahedra, edges with four equivalent SiHo4Ni8 cuboctahedra, edges with six equivalent NiHo4Si2Ni6 cuboctahedra, faces with four equivalent SiHo4Ni8 cuboctahedra, and faces with six equivalent NiHo4Si2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–Si bond lengths are 2.40 Å. Si is bonded to four equivalent Ho and eight Ni atoms to form distorted SiHo4Ni8 cuboctahedra that share corners with eight equivalent NiHo4Si2Ni6 cuboctahedra, corners with eight equivalent SiHo4Ni8 cuboctahedra, edges with two equivalent SiHo4Ni8 cuboctahedra, edges with eight equivalent NiHo4Si2Ni6 cuboctahedra, faces with two equivalent SiHo4Ni8 cuboctahedra, and faces with eight equivalent NiHo4Si2Ni6 cuboctahedra.

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Materials Data on HoZnPd by Materials Project

HoPdZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pd and six equivalent Zn atoms. There are four shorter (2.93 Å) and one longer (2.95 Å) Ho–Pd bond lengths. There are two shorter (3.16 Å) and four longer (3.22 Å) Ho–Zn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Zn atoms. All Pd–Zn bond lengths are 2.65 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Zn atoms. All Pd–Zn bond lengths are 2.78 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Ho and four Pd atoms.

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Materials Data on HoSnIr by Materials Project

HoIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are four shorter (3.01 Å) and one longer (3.02 Å) Ho–Ir bond lengths. There are two shorter (3.19 Å) and four longer (3.29 Å) Ho–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.77 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.81 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four Ir atoms.

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Materials Data on Ho2(Ga3Ru)3 by Materials Project

Ho2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Ho–Ga bond distances ranging from 3.04–3.17 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.56–2.63 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.60 Å) and four longer (2.61 Å) Ru–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ho, two equivalent Ru, and six Ga atoms. All Ga–Ga bond lengths are 2.75 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Ho, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–2.96 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Ho, three Ru, and five Ga atoms. There are one shorter (2.72 Å) and two longer (2.84 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ho, two equivalent Ru, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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Materials Data on Ho2(Al3Ir)3 by Materials Project

Ho2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Ho–Al bond distances ranging from 3.04–3.14 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are four shorter (2.56 Å) and four longer (2.62 Å) Ir–Al bond lengths. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.55–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ho and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ho and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Ho and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ho and two equivalent Ir atoms.

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Materials Data on HoCO4 by Materials Project

HoCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to nine O atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.88 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.32 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Ho atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Ho and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Ho and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Ho and one C atom.

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Materials Data on HoZr by Materials Project

HoZr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded to six equivalent Ho and six equivalent Zr atoms to form HoHo6Zr6 cuboctahedra that share corners with eighteen equivalent HoHo6Zr6 cuboctahedra, edges with six equivalent HoHo6Zr6 cuboctahedra, edges with twelve equivalent ZrHo6Zr6 cuboctahedra, faces with eight equivalent HoHo6Zr6 cuboctahedra, and faces with twelve equivalent ZrHo6Zr6 cuboctahedra. All Ho–Ho bond lengths are 3.41 Å. All Ho–Zr bond lengths are 3.32 Å. Zr is bonded to six equivalent Ho and six equivalent Zr atoms to form ZrHo6Zr6 cuboctahedra that share corners with eighteen equivalent ZrHo6Zr6 cuboctahedra, edges with six equivalent ZrHo6Zr6 cuboctahedra, edges with twelve equivalent HoHo6Zr6 cuboctahedra, faces with eight equivalent ZrHo6Zr6 cuboctahedra, and faces with twelve equivalent HoHo6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.41 Å.

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Materials Data on LiHoSn2 by Materials Project

LiHoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Ho and five Sn atoms. All Li–Ho bond lengths are 3.38 Å. There are a spread of Li–Sn bond distances ranging from 2.46–2.67 Å. Ho is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.34–3.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Ho atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Ho atoms to form a mixture of face and edge-sharing SnLi4Ho4 tetrahedra.

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Materials Data on HoNiSn by Materials Project

HoNiSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Ni and six equivalent Sn atoms. All Ho–Ni bond lengths are 2.94 Å. There are two shorter (3.11 Å) and four longer (3.24 Å) Ho–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Sn atoms. All Ni–Sn bond lengths are 2.71 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Sn atoms. All Ni–Sn bond lengths are 2.72 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3HoSi3O10 by Materials Project

K3HoSi3O10 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 1-coordinate geometry to eleven O atoms. There are a spread of K–O bond distances ranging from 2.67–3.32 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.75–3.07 Å. Ho is bonded to six O atoms to form HoO6 octahedra that share corners with six SiO4 tetrahedra. There are a spread of Ho–O bond distances ranging from 2.20–2.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent HoO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–42°. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent HoO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–53°. There are a spread of Si–O bond distances ranging from 1.60–1.68 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent K, one Ho, and one Si atom. In the second O site, O is bonded in a 2-coordinate geometry to three K, one Ho, and one Si atom. In the third O site, O is bonded in a 4-coordinate geometry to two K, one Ho, and one Si atom. In the fourth O site, O is bonded in a 3-coordinate geometry to one K, one Ho, and one Si atom. In the fifth O site, O is bonded in a 2-coordinate geometry to two K and two Si atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to four K and one Si atom.

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Materials Data on Ho3Bi by Materials Project

Ho3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Bi atoms to form distorted HoHo8Bi4 cuboctahedra that share corners with twelve equivalent HoHo8Bi4 cuboctahedra, edges with eight equivalent BiHo12 cuboctahedra, edges with sixteen equivalent HoHo8Bi4 cuboctahedra, faces with four equivalent BiHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Bi4 cuboctahedra. All Ho–Ho bond lengths are 3.43 Å. All Ho–Bi bond lengths are 3.43 Å. Bi is bonded to twelve equivalent Ho atoms to form BiHo12 cuboctahedra that share corners with twelve equivalent BiHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Bi4 cuboctahedra, faces with six equivalent BiHo12 cuboctahedra, and faces with twelve equivalent HoHo8Bi4 cuboctahedra.

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Materials Data on Ho3Si2(SnRh3)3 by Materials Project

Ho3Si2(Rh3Sn)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to ten Rh and two equivalent Si atoms. There are a spread of Ho–Rh bond distances ranging from 2.89–3.15 Å. Both Ho–Si bond lengths are 3.00 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Ho, two equivalent Sn, and two equivalent Si atoms. Both Rh–Sn bond lengths are 2.78 Å. Both Rh–Si bond lengths are 2.42 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Ho and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.72 Å. Sn is bonded in a distorted body-centered cubic geometry to eight Rh atoms. Si is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Rh atoms.

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Materials Data on HoInCo2 by Materials Project

HoCo2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ho is bonded in a 3-coordinate geometry to seven Co and six equivalent In atoms. There are a spread of Ho–Co bond distances ranging from 2.64–3.09 Å. There are four shorter (3.25 Å) and two longer (3.32 Å) Ho–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Ho, six Co, and two equivalent In atoms to form a mixture of corner, edge, and face-sharing CoHo4In2Co6 cuboctahedra. There are four shorter (2.47 Å) and two longer (2.50 Å) Co–Co bond lengths. Both Co–In bond lengths are 2.77 Å. In the second Co site, Co is bonded in a 3-coordinate geometry to three equivalent Ho, four equivalent Co, and two equivalent In atoms. Both Co–In bond lengths are 2.70 Å. In is bonded in a 12-coordinate geometry to six equivalent Ho, four Co, and two equivalent In atoms. Both In–In bond lengths are 3.28 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Er by Materials Project

ErHo3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Ho atoms to form ErHo12 cuboctahedra that share corners with twelve equivalent ErHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Er4 cuboctahedra, faces with six equivalent ErHo12 cuboctahedra, and faces with twelve equivalent HoHo8Er4 cuboctahedra. All Er–Ho bond lengths are 3.52 Å. Ho is bonded to four equivalent Er and eight equivalent Ho atoms to form HoHo8Er4 cuboctahedra that share corners with twelve equivalent HoHo8Er4 cuboctahedra, edges with eight equivalent ErHo12 cuboctahedra, edges with sixteen equivalent HoHo8Er4 cuboctahedra, faces with four equivalent ErHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Er4 cuboctahedra. All Ho–Ho bond lengths are 3.52 Å.

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