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DOE OSTI2020

Materials Data on Ho11(Ni10C)6 by Materials Project

Ho11(Ni10C)6 crystallizes in the cubic Im-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 fifteen Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.83–2.98 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to twelve Ni and two equivalent C atoms. There are four shorter (3.11 Å) and eight longer (3.27 Å) Ho–Ni bond lengths. Both Ho–C bond lengths are 2.61 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a single-bond geometry to four equivalent Ho and one C atom. The Ni–C bond length is 1.83 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to two equivalent Ho and twelve Ni atoms. There are four shorter (2.58 Å) and eight longer (2.63 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a single-bond geometry to two equivalent Ho, five Ni, and one C atom. There are two shorter (2.45 Å) and two longer (2.50 Å) Ni–Ni bond lengths. The Ni–C bond length is 1.88 Å. In the fourth Ni site, Ni is bonded to three Ho and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiHo3Ni9 cuboctahedra. There are one shorter (2.31 Å) and two longer (2.37 Å) Ni–Ni bond lengths. C is bonded in a 5-coordinate geometry to one Ho and five Ni atoms.

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Materials Data on Ho6Mn4Al43 by Materials Project

Ho6Mn4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to one Ho, one Mn, and fifteen Al atoms. The Ho–Ho bond length is 3.41 Å. The Ho–Mn bond length is 3.49 Å. There are a spread of Ho–Al bond distances ranging from 3.04–3.42 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a cuboctahedral geometry to twelve Al atoms. There are six shorter (2.65 Å) and six longer (2.80 Å) Mn–Al bond lengths. In the second Mn site, Mn is bonded in a 10-coordinate geometry to two equivalent Ho and ten Al atoms. There are a spread of Mn–Al bond distances ranging from 2.53–2.65 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one Ho, two Mn, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.95 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, one Mn, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.95 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Ho and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–3.09 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, one Mn, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.98 Å. In the fifth Al site, Al is bonded in a 10-coordinate geometry to two equivalent Ho, one Mn, and seven Al atoms. There are one shorter (2.74 Å) and two longer (2.81 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mn and ten Al atoms. Both Al–Al bond lengths are 2.75 Å. In the seventh Al site, Al is bonded to three equivalent Ho and nine Al atoms to form a mixture of face and corner-sharing AlHo3Al9 cuboctahedra.

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Materials Data on Ho6Nb4Al43 by Materials Project

Ho6Nb4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to one Ho, one Nb, and fifteen Al atoms. The Ho–Ho bond length is 3.47 Å. The Ho–Nb bond length is 3.49 Å. There are a spread of Ho–Al bond distances ranging from 3.06–3.48 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded to twelve Al atoms to form NbAl12 cuboctahedra that share corners with six equivalent NbHo2Al10 cuboctahedra and edges with six equivalent AlNb2Al10 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.91 Å) Nb–Al bond lengths. In the second Nb site, Nb is bonded to two equivalent Ho and ten Al atoms to form distorted NbHo2Al10 cuboctahedra that share corners with four NbAl12 cuboctahedra, an edgeedge with one AlNb2Al10 cuboctahedra, and faces with six AlNb2Al10 cuboctahedra. There are a spread of Nb–Al bond distances ranging from 2.64–2.75 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one Ho, two Nb, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–3.06 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, one Nb, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.05 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Ho and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.79–3.09 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, one Nb, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–3.06 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, one Nb, and seven Al atoms. There are two shorter (2.83 Å) and one longer (2.88 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded to two equivalent Nb and ten Al atoms to form distorted AlNb2Al10 cuboctahedra that share corners with four equivalent AlHo3Al9 cuboctahedra, edges with three NbAl12 cuboctahedra, faces with two equivalent NbHo2Al10 cuboctahedra, and faces with two equivalent AlNb2Al10 cuboctahedra. Both Al–Al bond lengths are 2.83 Å. In the seventh Al site, Al is bonded to three equivalent Ho and nine Al atoms to form AlHo3Al9 cuboctahedra that share corners with six AlNb2Al10 cuboctahedra, faces with two equivalent AlHo3Al9 cuboctahedra, and faces with three equivalent NbHo2Al10 cuboctahedra.

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Materials Data on LiHoSn by Materials Project

LiHoSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to six Ho and four Sn atoms. There are a spread of Li–Ho bond distances ranging from 3.11–3.40 Å. There are a spread of Li–Sn bond distances ranging from 2.72–3.23 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to six equivalent Ho and four Sn atoms. There are three shorter (3.16 Å) and three longer (3.48 Å) Li–Ho bond lengths. There are three shorter (2.75 Å) and one longer (2.88 Å) Li–Sn bond lengths. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.17–3.37 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to six equivalent Li and six equivalent Sn atoms. There are three shorter (3.18 Å) and three longer (3.35 Å) Ho–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to four Li and six Ho atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six equivalent Ho atoms.

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Materials Data on Ho3Mg by Materials Project

MgHo3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. All Mg–Ho bond lengths are 3.30 Å. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Mg and eight Ho atoms to form a mixture of distorted face, edge, and corner-sharing HoHo8Mg4 cuboctahedra. There are four shorter (3.49 Å) and four longer (3.61 Å) Ho–Ho bond lengths. In the second Ho site, Ho is bonded to twelve Ho atoms to form HoHo12 cuboctahedra that share corners with four equivalent HoHo12 cuboctahedra, edges with sixteen equivalent HoHo8Mg4 cuboctahedra, and faces with sixteen HoHo8Mg4 cuboctahedra. All Ho–Ho bond lengths are 3.61 Å.

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Materials Data on Ho5(SiB4)2 by Materials Project

Ho5Si2B8 crystallizes in the tetragonal P4/mbm 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 nine B and three equivalent Si atoms. There are a spread of Ho–B bond distances ranging from 2.62–2.95 Å. There are one shorter (3.04 Å) and two longer (3.11 Å) Ho–Si bond lengths. In the second Ho site, Ho is bonded to two equivalent B and four equivalent Si atoms to form corner-sharing HoSi4B2 octahedra. The corner-sharing octahedral tilt angles are 57°. Both Ho–B bond lengths are 2.71 Å. All Ho–Si bond lengths are 2.89 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Ho and five B atoms. There are a spread of B–B bond distances ranging from 1.75–1.83 Å. In the second B site, B is bonded in a 3-coordinate geometry to six equivalent Ho and three B atoms. The B–B bond length is 1.83 Å. In the third B site, B is bonded in a 9-coordinate geometry to five Ho and four equivalent B atoms. Si is bonded in a 9-coordinate geometry to eight Ho and one Si atom. The Si–Si bond length is 2.35 Å.

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Materials Data on Ho5(Sn3Rh)6 by Materials Project

Ho5Rh6Sn17Sn crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four 7440-31-5 molecules and one Ho5Rh6Sn17 framework. In the Ho5Rh6Sn17 framework, there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to six equivalent Rh and twelve equivalent Sn atoms. All Ho–Rh bond lengths are 3.56 Å. All Ho–Sn bond lengths are 3.46 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to three equivalent Rh and ten Sn atoms. All Ho–Rh bond lengths are 3.04 Å. There are a spread of Ho–Sn bond distances ranging from 2.91–3.40 Å. Rh is bonded in a 9-coordinate geometry to three Ho and six Sn atoms. There are four shorter (2.69 Å) and two longer (2.81 Å) Rh–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a tetrahedral geometry to four equivalent Ho atoms. In the second Sn site, Sn is bonded in a hexagonal planar geometry to three equivalent Ho and three equivalent Rh atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to three Ho and two equivalent Rh atoms.

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Materials Data on Ho2Ge2Rh by Materials Project

Ho2RhGe2 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 8-coordinate geometry to two equivalent Rh and six Ge atoms. Both Ho–Rh bond lengths are 3.05 Å. There are a spread of Ho–Ge bond distances ranging from 2.99–3.09 Å. In the second Ho site, Ho is bonded in a 11-coordinate geometry to four equivalent Rh and seven Ge atoms. There are a spread of Ho–Rh bond distances ranging from 3.01–3.25 Å. There are a spread of Ho–Ge bond distances ranging from 2.98–3.30 Å. Rh is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.50–2.72 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho, one Rh, and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.69 Å.

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Materials Data on Ho2Ge2Os by Materials Project

Ho2OsGe2 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 8-coordinate geometry to two equivalent Os and six Ge atoms. Both Ho–Os bond lengths are 3.19 Å. There are a spread of Ho–Ge bond distances ranging from 2.90–3.22 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to four equivalent Os and six Ge atoms. There are a spread of Ho–Os bond distances ranging from 3.09–3.18 Å. There are a spread of Ho–Ge bond distances ranging from 2.93–3.12 Å. Os is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Os–Ge bond distances ranging from 2.47–2.61 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho, one Os, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Ho, three equivalent Os, and one Ge atom. The Ge–Ge bond length is 2.71 Å.

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Materials Data on Ho3Ge3Ir2 by Materials Project

Ho3Ir2Ge3 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 11-coordinate geometry to four equivalent Ir and seven Ge atoms. There are a spread of Ho–Ir bond distances ranging from 2.98–3.28 Å. There are a spread of Ho–Ge bond distances ranging from 3.02–3.24 Å. In the second Ho site, Ho is bonded in a 9-coordinate geometry to four equivalent Ir and five Ge atoms. All Ho–Ir bond lengths are 3.07 Å. There are a spread of Ho–Ge bond distances ranging from 3.02–3.11 Å. Ir is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.50–2.70 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ir atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.76 Å.

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Materials Data on SmHo3 by Materials Project

Ho3Sm is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Sm atoms to form HoSm4Ho8 cuboctahedra that share corners with twelve equivalent HoSm4Ho8 cuboctahedra, edges with eight equivalent SmHo12 cuboctahedra, edges with sixteen HoSm4Ho8 cuboctahedra, faces with four equivalent SmHo12 cuboctahedra, and faces with fourteen HoSm4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.55 Å. All Ho–Sm bond lengths are 3.55 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Sm atoms to form HoSm4Ho8 cuboctahedra that share corners with four equivalent HoSm4Ho8 cuboctahedra, corners with eight equivalent SmHo12 cuboctahedra, edges with twenty-four HoSm4Ho8 cuboctahedra, faces with six equivalent SmHo12 cuboctahedra, and faces with twelve HoSm4Ho8 cuboctahedra. All Ho–Sm bond lengths are 3.55 Å. Sm is bonded to twelve Ho atoms to form SmHo12 cuboctahedra that share corners with four equivalent SmHo12 cuboctahedra, corners with eight equivalent HoSm4Ho8 cuboctahedra, edges with eight equivalent SmHo12 cuboctahedra, edges with sixteen equivalent HoSm4Ho8 cuboctahedra, faces with four equivalent SmHo12 cuboctahedra, and faces with fourteen HoSm4Ho8 cuboctahedra.

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Materials Data on Ho3(AgSn)4 by Materials Project

Ho3(AgSn)4 crystallizes in the orthorhombic Immm 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 Ag and six Sn atoms. There are four shorter (3.27 Å) and two longer (3.41 Å) Ho–Ag bond lengths. All Ho–Sn bond lengths are 3.33 Å. In the second Ho site, Ho is bonded to eight equivalent Ag and six Sn atoms to form distorted face-sharing HoAg8Sn6 octahedra. All Ho–Ag bond lengths are 3.78 Å. There are four shorter (3.20 Å) and two longer (3.29 Å) Ho–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to five Ho, three equivalent Ag, and four Sn atoms. There are one shorter (2.93 Å) and two longer (3.39 Å) Ag–Ag bond lengths. There are a spread of Ag–Sn bond distances ranging from 2.74–2.82 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Ho, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.92 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three Ho and six equivalent Ag atoms.

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Materials Data on NdHo3 by Materials Project

Ho3Nd is beta Cu3Ti-like structured and 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 eight Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with four equivalent NdHo12 cuboctahedra, corners with fourteen HoNd4Ho8 cuboctahedra, edges with six equivalent NdHo12 cuboctahedra, edges with twelve HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with sixteen HoNd4Ho8 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.53–3.66 Å. There are two shorter (3.55 Å) and two longer (3.63 Å) Ho–Nd bond lengths. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with four equivalent NdHo12 cuboctahedra, corners with fourteen HoNd4Ho8 cuboctahedra, edges with six equivalent NdHo12 cuboctahedra, edges with twelve equivalent HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with sixteen HoNd4Ho8 cuboctahedra. There are two shorter (3.55 Å) and two longer (3.63 Å) Ho–Nd bond lengths. Nd is bonded to twelve Ho atoms to form NdHo12 cuboctahedra that share corners with six equivalent NdHo12 cuboctahedra, corners with twelve HoNd4Ho8 cuboctahedra, edges with eighteen HoNd4Ho8 cuboctahedra, faces with eight equivalent NdHo12 cuboctahedra, and faces with twelve HoNd4Ho8 cuboctahedra.

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Materials Data on Ho3Pb by Materials Project

Ho3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Pb atoms to form distorted HoHo8Pb4 cuboctahedra that share corners with twelve equivalent HoHo8Pb4 cuboctahedra, edges with eight equivalent HoHo8Pb4 cuboctahedra, edges with eight equivalent PbHo12 cuboctahedra, faces with four equivalent PbHo12 cuboctahedra, and faces with ten equivalent HoHo8Pb4 cuboctahedra. There are four shorter (3.32 Å) and four longer (3.52 Å) Ho–Ho bond lengths. All Ho–Pb bond lengths are 3.52 Å. In the second Ho site, Ho is bonded in a square co-planar geometry to eight equivalent Ho and four equivalent Pb atoms. All Ho–Pb bond lengths are 3.32 Å. Pb is bonded to twelve Ho atoms to form PbHo12 cuboctahedra that share corners with four equivalent PbHo12 cuboctahedra, edges with eight equivalent PbHo12 cuboctahedra, edges with sixteen equivalent HoHo8Pb4 cuboctahedra, faces with four equivalent PbHo12 cuboctahedra, and faces with eight equivalent HoHo8Pb4 cuboctahedra.

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Materials Data on PrHo3 by Materials Project

Ho3Pr is beta Cu3Ti-like structured and 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 eight Ho and four equivalent Pr atoms to form HoPr4Ho8 cuboctahedra that share corners with four equivalent PrHo12 cuboctahedra, corners with fourteen HoPr4Ho8 cuboctahedra, edges with six equivalent PrHo12 cuboctahedra, edges with twelve HoPr4Ho8 cuboctahedra, faces with four equivalent PrHo12 cuboctahedra, and faces with sixteen HoPr4Ho8 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.53–3.68 Å. There are two shorter (3.56 Å) and two longer (3.63 Å) Ho–Pr bond lengths. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Pr atoms to form HoPr4Ho8 cuboctahedra that share corners with four equivalent PrHo12 cuboctahedra, corners with fourteen HoPr4Ho8 cuboctahedra, edges with six equivalent PrHo12 cuboctahedra, edges with twelve equivalent HoPr4Ho8 cuboctahedra, faces with four equivalent PrHo12 cuboctahedra, and faces with sixteen HoPr4Ho8 cuboctahedra. There are two shorter (3.56 Å) and two longer (3.63 Å) Ho–Pr bond lengths. Pr is bonded to twelve Ho atoms to form PrHo12 cuboctahedra that share corners with six equivalent PrHo12 cuboctahedra, corners with twelve HoPr4Ho8 cuboctahedra, edges with eighteen HoPr4Ho8 cuboctahedra, faces with eight equivalent PrHo12 cuboctahedra, and faces with twelve HoPr4Ho8 cuboctahedra.

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Materials Data on Ho3Zr by Materials Project

Ho3Zr crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight 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 HoHo8Zr4 cuboctahedra, faces with four equivalent ZrHo12 cuboctahedra, and faces with fourteen HoHo8Zr4 cuboctahedra. There are four shorter (3.43 Å) and four longer (3.44 Å) Ho–Ho bond lengths. All Ho–Zr bond lengths are 3.43 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Zr atoms to form HoHo8Zr4 cuboctahedra that share corners with four equivalent HoHo8Zr4 cuboctahedra, corners with eight equivalent ZrHo12 cuboctahedra, edges with twenty-four HoHo8Zr4 cuboctahedra, faces with six equivalent ZrHo12 cuboctahedra, and faces with twelve HoHo8Zr4 cuboctahedra. All Ho–Zr bond lengths are 3.44 Å. Zr is bonded to twelve Ho atoms to form ZrHo12 cuboctahedra that share corners with four equivalent ZrHo12 cuboctahedra, corners with eight 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 HoHo8Zr4 cuboctahedra.

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Materials Data on Ho3P by Materials Project

Ho3P is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent P atoms to form distorted HoHo8P4 cuboctahedra that share corners with twelve equivalent HoHo8P4 cuboctahedra, edges with eight equivalent HoHo8P4 cuboctahedra, edges with eight equivalent PHo12 cuboctahedra, faces with four equivalent PHo12 cuboctahedra, and faces with ten equivalent HoHo8P4 cuboctahedra. There are four shorter (3.10 Å) and four longer (3.36 Å) Ho–Ho bond lengths. All Ho–P bond lengths are 3.36 Å. In the second Ho site, Ho is bonded in a square co-planar geometry to eight equivalent Ho and four equivalent P atoms. All Ho–P bond lengths are 3.10 Å. P is bonded to twelve Ho atoms to form PHo12 cuboctahedra that share corners with four equivalent PHo12 cuboctahedra, edges with eight equivalent PHo12 cuboctahedra, edges with sixteen equivalent HoHo8P4 cuboctahedra, faces with four equivalent PHo12 cuboctahedra, and faces with eight equivalent HoHo8P4 cuboctahedra.

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Materials Data on Ho3Sb by Materials Project

Ho3Sb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Sb atoms to form distorted HoHo8Sb4 cuboctahedra that share corners with twelve equivalent HoHo8Sb4 cuboctahedra, edges with eight equivalent HoHo8Sb4 cuboctahedra, edges with eight equivalent SbHo12 cuboctahedra, faces with four equivalent SbHo12 cuboctahedra, and faces with ten equivalent HoHo8Sb4 cuboctahedra. There are four shorter (3.26 Å) and four longer (3.48 Å) Ho–Ho bond lengths. All Ho–Sb bond lengths are 3.48 Å. In the second Ho site, Ho is bonded in a square co-planar geometry to eight equivalent Ho and four equivalent Sb atoms. All Ho–Sb bond lengths are 3.26 Å. Sb is bonded to twelve Ho atoms to form SbHo12 cuboctahedra that share corners with four equivalent SbHo12 cuboctahedra, edges with eight equivalent SbHo12 cuboctahedra, edges with sixteen equivalent HoHo8Sb4 cuboctahedra, faces with four equivalent SbHo12 cuboctahedra, and faces with eight equivalent HoHo8Sb4 cuboctahedra.

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