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DOE OSTI2020

Materials Data on Ho3In by Materials Project

Ho3In is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent In atoms to form distorted HoHo8In4 cuboctahedra that share corners with four equivalent InHo12 cuboctahedra, corners with fourteen equivalent HoHo8In4 cuboctahedra, edges with six equivalent InHo12 cuboctahedra, edges with twelve equivalent HoHo8In4 cuboctahedra, faces with four equivalent InHo12 cuboctahedra, and faces with sixteen equivalent HoHo8In4 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.35–3.54 Å. There are two shorter (3.36 Å) and two longer (3.44 Å) Ho–In bond lengths. In is bonded to twelve equivalent Ho atoms to form InHo12 cuboctahedra that share corners with six equivalent InHo12 cuboctahedra, corners with twelve equivalent HoHo8In4 cuboctahedra, edges with eighteen equivalent HoHo8In4 cuboctahedra, faces with eight equivalent InHo12 cuboctahedra, and faces with twelve equivalent HoHo8In4 cuboctahedra.

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Materials Data on Ho3Lu by Materials Project

LuHo3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Ho atoms to form LuHo12 cuboctahedra that share corners with six equivalent LuHo12 cuboctahedra, corners with twelve equivalent HoHo8Lu4 cuboctahedra, edges with eighteen equivalent HoHo8Lu4 cuboctahedra, faces with eight equivalent LuHo12 cuboctahedra, and faces with twelve equivalent HoHo8Lu4 cuboctahedra. There are six shorter (3.46 Å) and six longer (3.58 Å) Lu–Ho bond lengths. Ho is bonded to four equivalent Lu and eight equivalent Ho atoms to form HoHo8Lu4 cuboctahedra that share corners with four equivalent LuHo12 cuboctahedra, corners with fourteen equivalent HoHo8Lu4 cuboctahedra, edges with six equivalent LuHo12 cuboctahedra, edges with twelve equivalent HoHo8Lu4 cuboctahedra, faces with four equivalent LuHo12 cuboctahedra, and faces with sixteen equivalent HoHo8Lu4 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.47–3.59 Å.

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Materials Data on LiHo3 by Materials Project

LiHo3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Ho atoms to form LiHo12 cuboctahedra that share corners with twelve equivalent LiHo12 cuboctahedra, edges with twenty-four equivalent HoLi4Ho8 cuboctahedra, faces with six equivalent LiHo12 cuboctahedra, and faces with twelve equivalent HoLi4Ho8 cuboctahedra. All Li–Ho bond lengths are 3.44 Å. Ho is bonded to four equivalent Li and eight equivalent Ho atoms to form HoLi4Ho8 cuboctahedra that share corners with twelve equivalent HoLi4Ho8 cuboctahedra, edges with eight equivalent LiHo12 cuboctahedra, edges with sixteen equivalent HoLi4Ho8 cuboctahedra, faces with four equivalent LiHo12 cuboctahedra, and faces with fourteen equivalent HoLi4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.44 Å.

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Materials Data on PmHo by Materials Project

HoPm crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded to six equivalent Ho and six equivalent Pm atoms to form HoPm6Ho6 cuboctahedra that share corners with eighteen equivalent HoPm6Ho6 cuboctahedra, edges with six equivalent HoPm6Ho6 cuboctahedra, edges with twelve equivalent PmPm6Ho6 cuboctahedra, faces with eight equivalent HoPm6Ho6 cuboctahedra, and faces with twelve equivalent PmPm6Ho6 cuboctahedra. All Ho–Ho bond lengths are 3.64 Å. All Ho–Pm bond lengths are 3.57 Å. Pm is bonded to six equivalent Ho and six equivalent Pm atoms to form PmPm6Ho6 cuboctahedra that share corners with eighteen equivalent PmPm6Ho6 cuboctahedra, edges with six equivalent PmPm6Ho6 cuboctahedra, edges with twelve equivalent HoPm6Ho6 cuboctahedra, faces with eight equivalent PmPm6Ho6 cuboctahedra, and faces with twelve equivalent HoPm6Ho6 cuboctahedra. All Pm–Pm bond lengths are 3.64 Å.

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Materials Data on Ho3Mg by Materials Project

MgHo3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ho atoms to form MgHo12 cuboctahedra that share corners with six equivalent MgHo12 cuboctahedra, corners with twelve equivalent HoHo8Mg4 cuboctahedra, edges with eighteen equivalent HoHo8Mg4 cuboctahedra, faces with eight equivalent MgHo12 cuboctahedra, and faces with twelve equivalent HoHo8Mg4 cuboctahedra. There are six shorter (3.40 Å) and six longer (3.49 Å) Mg–Ho bond lengths. Ho is bonded to four equivalent Mg and eight equivalent Ho atoms to form HoHo8Mg4 cuboctahedra that share corners with four equivalent MgHo12 cuboctahedra, corners with fourteen equivalent HoHo8Mg4 cuboctahedra, edges with six equivalent MgHo12 cuboctahedra, edges with twelve equivalent HoHo8Mg4 cuboctahedra, faces with four equivalent MgHo12 cuboctahedra, and faces with sixteen equivalent HoHo8Mg4 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.43–3.55 Å.

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Materials Data on HoNiGe2 by Materials Project

HoNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ge atoms. All Ho–Ni bond lengths are 3.14 Å. There are a spread of Ho–Ge bond distances ranging from 3.12–3.23 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Ho and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.29–2.41 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Ni atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Ho, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.50 Å.

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Materials Data on Ho3Hg by Materials Project

Ho3Hg 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 Hg atoms to form distorted HoHo8Hg4 cuboctahedra that share corners with twelve equivalent HoHo8Hg4 cuboctahedra, edges with eight equivalent HgHo12 cuboctahedra, edges with sixteen equivalent HoHo8Hg4 cuboctahedra, faces with four equivalent HgHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Hg4 cuboctahedra. All Ho–Ho bond lengths are 3.38 Å. All Ho–Hg bond lengths are 3.38 Å. Hg is bonded to twelve equivalent Ho atoms to form HgHo12 cuboctahedra that share corners with twelve equivalent HgHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Hg4 cuboctahedra, faces with six equivalent HgHo12 cuboctahedra, and faces with twelve equivalent HoHo8Hg4 cuboctahedra.

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Materials Data on Ho3Pu by Materials Project

PuHo3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Ho atoms to form PuHo12 cuboctahedra that share corners with twelve equivalent PuHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Pu4 cuboctahedra, faces with six equivalent PuHo12 cuboctahedra, and faces with twelve equivalent HoHo8Pu4 cuboctahedra. All Pu–Ho bond lengths are 3.50 Å. Ho is bonded to four equivalent Pu and eight equivalent Ho atoms to form HoHo8Pu4 cuboctahedra that share corners with twelve equivalent HoHo8Pu4 cuboctahedra, edges with eight equivalent PuHo12 cuboctahedra, edges with sixteen equivalent HoHo8Pu4 cuboctahedra, faces with four equivalent PuHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Pu4 cuboctahedra. All Ho–Ho bond lengths are 3.50 Å.

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Materials Data on NaHo3 by Materials Project

NaHo3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent Ho atoms to form NaHo12 cuboctahedra that share corners with twelve equivalent NaHo12 cuboctahedra, edges with twenty-four equivalent HoNa4Ho8 cuboctahedra, faces with six equivalent NaHo12 cuboctahedra, and faces with twelve equivalent HoNa4Ho8 cuboctahedra. All Na–Ho bond lengths are 3.54 Å. Ho is bonded to four equivalent Na and eight equivalent Ho atoms to form HoNa4Ho8 cuboctahedra that share corners with twelve equivalent HoNa4Ho8 cuboctahedra, edges with eight equivalent NaHo12 cuboctahedra, edges with sixteen equivalent HoNa4Ho8 cuboctahedra, faces with four equivalent NaHo12 cuboctahedra, and faces with fourteen equivalent HoNa4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.54 Å.

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Materials Data on Ho3Zr by Materials Project

Ho3Zr 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 Zr atoms to form HoHo8Zr4 cuboctahedra that share corners with twelve equivalent HoHo8Zr4 cuboctahedra, edges with eight equivalent ZrHo12 cuboctahedra, edges with sixteen equivalent HoHo8Zr4 cuboctahedra, faces with four equivalent ZrHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Zr4 cuboctahedra. All Ho–Ho bond lengths are 3.43 Å. All Ho–Zr bond lengths are 3.43 Å. Zr is bonded to twelve equivalent Ho atoms to form ZrHo12 cuboctahedra that share corners with twelve equivalent ZrHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Zr4 cuboctahedra, faces with six equivalent ZrHo12 cuboctahedra, and faces with twelve equivalent HoHo8Zr4 cuboctahedra.

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Materials Data on HoCd2 by Materials Project

HoCd2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho is bonded to two equivalent Ho and six equivalent Cd atoms to form HoHo2Cd6 hexagonal bipyramids that share corners with two equivalent HoHo2Cd6 hexagonal bipyramids, corners with six equivalent CdHo3Cd5 hexagonal bipyramids, edges with six equivalent HoHo2Cd6 hexagonal bipyramids, and edges with eighteen equivalent CdHo3Cd5 hexagonal bipyramids. Both Ho–Ho bond lengths are 3.24 Å. All Ho–Cd bond lengths are 3.14 Å. Cd is bonded to three equivalent Ho and five equivalent Cd atoms to form distorted CdHo3Cd5 hexagonal bipyramids that share corners with three equivalent HoHo2Cd6 hexagonal bipyramids, corners with five equivalent CdHo3Cd5 hexagonal bipyramids, edges with nine equivalent HoHo2Cd6 hexagonal bipyramids, and edges with fifteen equivalent CdHo3Cd5 hexagonal bipyramids. There are three shorter (3.15 Å) and two longer (3.24 Å) Cd–Cd bond lengths.

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Materials Data on HoClO2 by Materials Project

HoO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to six O and three equivalent Cl atoms. There are a spread of Ho–O bond distances ranging from 2.27–2.41 Å. There are two shorter (2.78 Å) and one longer (2.89 Å) Ho–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three equivalent Ho atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to three equivalent Ho atoms. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ho atoms.

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Materials Data on Ho3C4 by Materials Project

Ho3C4 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. there are four inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six C+2.25- atoms to form HoC6 octahedra that share corners with two equivalent HoC6 octahedra, corners with four equivalent HoC7 pentagonal bipyramids, and edges with four equivalent HoC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.49 Å) and four longer (2.60 Å) Ho–C bond lengths. In the second Ho3+ site, Ho3+ is bonded to six C+2.25- atoms to form HoC6 octahedra that share a cornercorner with one HoC6 octahedra and edges with four equivalent HoC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ho–C bond distances ranging from 2.33–2.62 Å. In the third Ho3+ site, Ho3+ is bonded to seven C+2.25- atoms to form distorted HoC7 pentagonal bipyramids that share a cornercorner with one HoC6 octahedra, corners with two equivalent HoC7 pentagonal bipyramids, edges with three HoC6 octahedra, edges with two equivalent HoC7 pentagonal bipyramids, and faces with two equivalent HoC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are a spread of Ho–C bond distances ranging from 2.48–2.74 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven C+2.25- atoms. There are a spread of Ho–C bond distances ranging from 2.34–2.83 Å. There are seven inequivalent C+2.25- sites. In the first C+2.25- site, C+2.25- is bonded to six Ho3+ atoms to form a mixture of edge and corner-sharing CHo6 octahedra. The corner-sharing octahedra tilt angles range from 0–85°. In the second C+2.25- site, C+2.25- is bonded to six Ho3+ atoms to form a mixture of edge and corner-sharing CHo6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Both C–Ho bond lengths are 2.34 Å. In the third C+2.25- site, C+2.25- is bonded to six Ho3+ atoms to form a mixture of edge and corner-sharing CHo6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Both C–Ho bond lengths are 2.34 Å. In the fourth C+2.25- site, C+2.25- is bonded to six Ho3+ atoms to form a mixture of edge and corner-sharing CHo6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the fifth C+2.25- site, C+2.25- is bonded to five Ho3+ and one C+2.25- atom to form a mixture of edge and corner-sharing CHo5C octahedra. The corner-sharing octahedra tilt angles range from 4–85°. The C–C bond length is 1.35 Å. In the sixth C+2.25- site, C+2.25- is bonded in a 2-coordinate geometry to four equivalent Ho3+ and two equivalent C+2.25- atoms. In the seventh C+2.25- site, C+2.25- is bonded in a 6-coordinate geometry to five Ho3+ and one C+2.25- atom. The C–C bond length is 1.31 Å.

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Materials Data on KHoF4 by Materials Project

KHoF4 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. there are six inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to eight F1- atoms to form distorted KF8 hexagonal bipyramids that share a cornercorner with one HoF7 pentagonal bipyramid, edges with two KF8 hexagonal bipyramids, and edges with six HoF7 pentagonal bipyramids. There are a spread of K–F bond distances ranging from 2.55–3.08 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.61–3.01 Å. In the third K1+ site, K1+ is bonded to eight F1- atoms to form distorted KF8 hexagonal bipyramids that share a cornercorner with one HoF7 pentagonal bipyramid, edges with two KF8 hexagonal bipyramids, and edges with six HoF7 pentagonal bipyramids. There are a spread of K–F bond distances ranging from 2.61–3.03 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.59–3.06 Å. In the fifth K1+ site, K1+ is bonded to eight F1- atoms to form distorted KF8 hexagonal bipyramids that share a cornercorner with one HoF7 pentagonal bipyramid, edges with two KF8 hexagonal bipyramids, and edges with six HoF7 pentagonal bipyramids. There are a spread of K–F bond distances ranging from 2.62–3.09 Å. In the sixth K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.60–2.90 Å. There are six inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to seven F1- atoms to form HoF7 pentagonal bipyramids that share a cornercorner with one KF8 hexagonal bipyramid, corners with three equivalent HoF7 pentagonal bipyramids, edges with three KF8 hexagonal bipyramids, and an edgeedge with one HoF7 pentagonal bipyramid. There are a spread of Ho–F bond distances ranging from 2.16–2.30 Å. In the second Ho3+ site, Ho3+ is bonded to seven F1- atoms to form HoF7 pentagonal bipyramids that share corners with five HoF7 pentagonal bipyramids, edges with three KF8 hexagonal bipyramids, and an edgeedge with one HoF7 pentagonal bipyramid. There are a spread of Ho–F bond distances ranging from 2.21–2.28 Å. In the third Ho3+ site, Ho3+ is bonded to seven F1- atoms to form HoF7 pentagonal bipyramids that share a cornercorner with one KF8 hexagonal bipyramid, corners with three equivalent HoF7 pentagonal bipyramids, edges with three KF8 hexagonal bipyramids, and an edgeedge with one HoF7 pentagonal bipyramid. There are a spread of Ho–F bond distances ranging from 2.16–2.29 Å. In the fourth Ho3+ site, Ho3+ is bonded to seven F1- atoms to form HoF7 pentagonal bipyramids that share corners with five HoF7 pentagonal bipyramids, edges with three KF8 hexagonal bipyramids, and an edgeedge with one HoF7 pentagonal bipyramid. There are a spread of Ho–F bond distances ranging from 2.21–2.28 Å. In the fifth Ho3+ site, Ho3+ is bonded to seven F1- atoms to form HoF7 pentagonal bipyramids that share a cornercorner with one KF8 hexagonal bipyramid, corners with three equivalent HoF7 pentagonal bipyramids, edges with three KF8 hexagonal bipyramids, and an edgeedge with one HoF7 pentagonal bipyramid. There are a spread of Ho–F bond distances ranging from 2.16–2.29 Å. In the sixth Ho3+ site, Ho3+ is bonded to seven F1- atoms to form HoF7 pentagonal bipyramids that share corners with five HoF7 pentagonal bipyramids, edges with three KF8 hexagonal bipyramids, and an edgeedge with one HoF7 pentagonal bipyramid. There are a spread of Ho–F bond distances ranging from 2.21–2.28 Å. There are twenty-four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two Ho3+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two K1+ and two Ho3+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Ho3+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two Ho3+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two Ho3+ atoms. In the sixth F1- site, F1- is bonded in a 2-coordinate geometry to two K1+ and two Ho3+ atoms. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two Ho3+ atoms. In the eighth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Ho3+ atoms. In the ninth F1- site, F1- is bonded in a 2-coordinate geometry to two K1+ and two Ho3+ atoms. In the tenth F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two Ho3+ atoms. In the eleventh F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Ho3+ atoms. In the twelfth F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two Ho3+ atoms. In the thirteenth F1- site, F1- is bonded to three K1+ and one Ho3+ atom to form a mixture of corner and edge-sharing FK3Ho tetrahedra. In the fourteenth F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two Ho3+ atoms. In the fifteenth F1- site, F1- is bonded to three K1+ and one Ho3+ atom to form a mixture of distorted corner and edge-sharing FK3Ho tetrahedra. In the sixteenth F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two Ho3+ atoms. In the seventeenth F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two Ho3+ atoms. In the eighteenth F1- site, F1- is bonded to three K1+ and one Ho3+ atom to form a mixture of distorted corner and edge-sharing FK3Ho tetrahedra. In the nineteenth F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two Ho3+ atoms. In the twentieth F1- site, F1- is bonded to three K1+ and one Ho3+ atom to form a mixture of distorted corner and edge-sharing FK3Ho tetrahedra. In the twenty-first F1- site, F1- is bonded to three K1+ and one Ho3+ atom to form a mixture of distorted corner and edge-sharing FK3Ho tetrahedra. In the twenty-second F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two Ho3+ atoms. In the twenty-third F1- site, F1- is bonded in a 4-coordinate geometry to two K1+ and two Ho3+ atoms. In the twenty-fourth F1- site, F1- is bonded to three K1+ and one Ho3+ atom to form a mixture of distorted corner and edge-sharing FK3Ho tetrahedra.

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Materials Data on Ho3Te3N by Materials Project

Ho3NTe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a distorted L-shaped geometry to two equivalent N3- and four Te2- atoms. There are one shorter (2.25 Å) and one longer (2.27 Å) Ho–N bond lengths. There are a spread of Ho–Te bond distances ranging from 3.19–3.39 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Ho–N bond length is 2.20 Å. There are a spread of Ho–Te bond distances ranging from 3.02–3.22 Å. In the third Ho3+ site, Ho3+ is bonded in a distorted single-bond geometry to one N3- and five Te2- atoms. The Ho–N bond length is 2.20 Å. There are a spread of Ho–Te bond distances ranging from 3.04–3.29 Å. N3- is bonded to four Ho3+ atoms to form edge-sharing NHo4 tetrahedra. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Ho3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five Ho3+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to five Ho3+ atoms.

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Materials Data on Ho3Ga by Materials Project

Ho3Ga 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 Ga atoms to form distorted HoHo8Ga4 cuboctahedra that share corners with twelve equivalent HoHo8Ga4 cuboctahedra, edges with eight equivalent GaHo12 cuboctahedra, edges with sixteen equivalent HoHo8Ga4 cuboctahedra, faces with four equivalent GaHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Ga4 cuboctahedra. All Ho–Ho bond lengths are 3.32 Å. All Ho–Ga bond lengths are 3.32 Å. Ga is bonded to twelve equivalent Ho atoms to form GaHo12 cuboctahedra that share corners with twelve equivalent GaHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Ga4 cuboctahedra, faces with six equivalent GaHo12 cuboctahedra, and faces with twelve equivalent HoHo8Ga4 cuboctahedra.

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Materials Data on HoCu4Ni by Materials Project

HoNiCu4 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded in a distorted hexagonal planar geometry to three equivalent Ni and fifteen Cu atoms. All Ho–Ni bond lengths are 2.86 Å. There are three shorter (2.86 Å) and twelve longer (3.20 Å) Ho–Cu bond lengths. Ni is bonded to three equivalent Ho and nine Cu atoms to form distorted NiHo3Cu9 cuboctahedra that share corners with twenty-one CuHo3Cu6Ni3 cuboctahedra, edges with six equivalent NiHo3Cu9 cuboctahedra, faces with two equivalent NiHo3Cu9 cuboctahedra, and faces with twenty-one CuHo3Cu6Ni3 cuboctahedra. There are six shorter (2.48 Å) and three longer (2.86 Å) Ni–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Ho, three equivalent Ni, and six equivalent Cu atoms to form distorted CuHo3Cu6Ni3 cuboctahedra that share corners with nine equivalent NiHo3Cu9 cuboctahedra, corners with twelve equivalent CuHo4Cu6Ni2 cuboctahedra, edges with six equivalent CuHo3Cu6Ni3 cuboctahedra, faces with three equivalent NiHo3Cu9 cuboctahedra, and faces with twenty CuHo3Cu6Ni3 cuboctahedra. All Cu–Cu bond lengths are 2.48 Å. In the second Cu site, Cu is bonded to four equivalent Ho, two equivalent Ni, and six Cu atoms to form CuHo4Cu6Ni2 cuboctahedra that share corners with four equivalent NiHo3Cu9 cuboctahedra, corners with twenty CuHo3Cu6Ni3 cuboctahedra, edges with ten equivalent CuHo4Cu6Ni2 cuboctahedra, faces with six equivalent NiHo3Cu9 cuboctahedra, and faces with sixteen CuHo3Cu6Ni3 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.49 Å) Cu–Cu bond lengths.

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Materials Data on Ho3Sc by Materials Project

Ho3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Sc atoms to form HoHo8Sc4 cuboctahedra that share corners with four equivalent ScHo12 cuboctahedra, corners with fourteen equivalent HoHo8Sc4 cuboctahedra, edges with six equivalent ScHo12 cuboctahedra, edges with twelve equivalent HoHo8Sc4 cuboctahedra, faces with four equivalent ScHo12 cuboctahedra, and faces with sixteen equivalent HoHo8Sc4 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.45–3.58 Å. There are two shorter (3.41 Å) and two longer (3.53 Å) Ho–Sc bond lengths. Sc is bonded to twelve equivalent Ho atoms to form ScHo12 cuboctahedra that share corners with six equivalent ScHo12 cuboctahedra, corners with twelve equivalent HoHo8Sc4 cuboctahedra, edges with eighteen equivalent HoHo8Sc4 cuboctahedra, faces with eight equivalent ScHo12 cuboctahedra, and faces with twelve equivalent HoHo8Sc4 cuboctahedra.

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