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DOE OSTI2020

Materials Data on Ho7Co6Sn23 by Materials Project

Ho7Co6Sn23 crystallizes in the trigonal P-3m1 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 Co and twelve Sn atoms. All Ho–Co bond lengths are 3.44 Å. All Ho–Sn bond lengths are 3.36 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to two equivalent Co and ten Sn atoms. Both Ho–Co bond lengths are 3.18 Å. There are a spread of Ho–Sn bond distances ranging from 3.09–3.41 Å. Co is bonded in a 9-coordinate geometry to three Ho and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.59–2.79 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Sn–Sn bond lengths are 2.99 Å. In the second Sn site, Sn is bonded in a 3-coordinate geometry to three equivalent Ho, three equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.94 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to three equivalent Ho and one Sn atom. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to three Ho and two equivalent Co atoms. In the fifth Sn site, Sn is bonded in a 5-coordinate geometry to four equivalent Ho, one Co, and one Sn atom. The Sn–Sn bond length is 3.20 Å. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to three Ho, two equivalent Co, and two Sn atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Ho4InIr by Materials Project

Ho4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Ho–Ir bond lengths are 3.45 Å. Both Ho–In bond lengths are 3.23 Å. In the second Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Ho–Ir bond lengths are 2.84 Å. All Ho–In bond lengths are 3.45 Å. In the third Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Ho–Ir bond lengths are 2.80 Å. Both Ho–In bond lengths are 3.47 Å. Ir is bonded in a 6-coordinate geometry to nine Ho atoms. In is bonded in a 12-coordinate geometry to nine Ho and three equivalent In atoms. All In–In bond lengths are 3.20 Å.

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Materials Data on Ho4CdRh by Materials Project

Ho4RhCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent Cd atoms. Both Ho–Rh bond lengths are 3.47 Å. Both Ho–Cd bond lengths are 3.25 Å. In the second Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Rh and two equivalent Cd atoms. Both Ho–Rh bond lengths are 2.80 Å. Both Ho–Cd bond lengths are 3.48 Å. In the third Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Rh and three equivalent Cd atoms. All Ho–Rh bond lengths are 2.81 Å. All Ho–Cd bond lengths are 3.40 Å. Rh is bonded in a 6-coordinate geometry to nine Ho atoms. Cd is bonded to nine Ho and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdHo9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å.

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Materials Data on Ho4InRh by Materials Project

Ho4RhIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent In atoms. Both Ho–Rh bond lengths are 3.47 Å. Both Ho–In bond lengths are 3.23 Å. In the second Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Rh and three equivalent In atoms. All Ho–Rh bond lengths are 2.82 Å. All Ho–In bond lengths are 3.43 Å. In the third Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Rh and two equivalent In atoms. Both Ho–Rh bond lengths are 2.81 Å. Both Ho–In bond lengths are 3.48 Å. Rh is bonded in a 6-coordinate geometry to nine Ho atoms. In is bonded in a 12-coordinate geometry to nine Ho and three equivalent In atoms. All In–In bond lengths are 3.18 Å.

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Materials Data on Ho4CdCo by Materials Project

Ho4CoCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Cd atoms. Both Ho–Co bond lengths are 3.41 Å. Both Ho–Cd bond lengths are 3.21 Å. In the second Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Co and two equivalent Cd atoms. Both Ho–Co bond lengths are 2.74 Å. Both Ho–Cd bond lengths are 3.45 Å. In the third Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Co and three equivalent Cd atoms. All Ho–Co bond lengths are 2.76 Å. All Ho–Cd bond lengths are 3.42 Å. Co is bonded in a 6-coordinate geometry to nine Ho atoms. Cd is bonded to nine Ho and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdHo9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.05 Å.

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Materials Data on Ho2Fe14C by Materials Project

Ho2Fe14C crystallizes in the tetragonal P4_2/mnm 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 sixteen Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.95–3.23 Å. In the second Ho site, Ho is bonded in a 1-coordinate geometry to sixteen Fe and one C atom. There are a spread of Ho–Fe bond distances ranging from 2.99–3.35 Å. The Ho–C bond length is 2.82 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to three Ho and nine Fe atoms to form distorted FeHo3Fe9 cuboctahedra that share corners with fourteen FeHo3Fe9 cuboctahedra, edges with three FeHo2Fe10 cuboctahedra, and faces with twelve FeHo3Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.36–2.74 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two Ho, seven Fe, and one C atom. There are a spread of Fe–Fe bond distances ranging from 2.46–2.73 Å. The Fe–C bond length is 1.98 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to two Ho and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.60–2.78 Å. In the fourth Fe site, Fe is bonded to two Ho and ten Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeHo2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.41–2.56 Å. In the fifth Fe site, Fe is bonded to four Ho and eight Fe atoms to form a mixture of distorted corner and face-sharing FeHo4Fe8 cuboctahedra. In the sixth Fe site, Fe is bonded in a water-like geometry to two equivalent Ho, four Fe, and two equivalent C atoms. Both Fe–C bond lengths are 2.02 Å. C is bonded in a 6-coordinate geometry to one Ho and six Fe atoms.

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Materials Data on Ho4CdPt by Materials Project

Ho4PtCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Ho–Pt bond lengths are 2.85 Å. All Ho–Cd bond lengths are 3.40 Å. In the second Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two equivalent Cd atoms. Both Ho–Pt bond lengths are 2.83 Å. Both Ho–Cd bond lengths are 3.50 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Cd atoms. Both Ho–Pt bond lengths are 3.51 Å. Both Ho–Cd bond lengths are 3.26 Å. Pt is bonded in a 6-coordinate geometry to nine Ho atoms. Cd is bonded to nine Ho and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdHo9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.16 Å.

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Materials Data on Ho4CdPd by Materials Project

Ho4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Ho–Pd bond lengths are 2.86 Å. All Ho–Cd bond lengths are 3.38 Å. In the second Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Ho–Pd bond lengths are 2.85 Å. Both Ho–Cd bond lengths are 3.51 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Ho–Pd bond lengths are 3.53 Å. Both Ho–Cd bond lengths are 3.25 Å. Pd is bonded in a 6-coordinate geometry to nine Ho atoms. Cd is bonded to nine Ho and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdHo9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.17 Å.

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Materials Data on Ho5(In2Pt)2 by Materials Project

Ho5(PtIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Ho–Pt bond lengths are 2.82 Å. There are a spread of Ho–In bond distances ranging from 3.22–3.39 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to four equivalent Pt and six In atoms. There are two shorter (2.95 Å) and two longer (2.96 Å) Ho–Pt bond lengths. There are a spread of Ho–In bond distances ranging from 3.33–3.42 Å. In the third Ho site, Ho is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.23 Å) and four longer (3.33 Å) Ho–In bond lengths. Pt is bonded in a 9-coordinate geometry to six Ho and three In atoms. There are a spread of Pt–In bond distances ranging from 2.92–3.37 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to eight Ho, two equivalent Pt, and one In atom. The In–In bond length is 3.36 Å. In the second In site, In is bonded in a 9-coordinate geometry to eight Ho, one Pt, and one In atom.

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Materials Data on Ho3Mn3Ga2Ge by Materials Project

Ho3Mn3GeGa2 crystallizes in the orthorhombic Amm2 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 six Mn, four equivalent Ga, and one Ge atom. All Ho–Mn bond lengths are 3.24 Å. All Ho–Ga bond lengths are 2.94 Å. The Ho–Ge bond length is 2.92 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to six Mn, four equivalent Ga, and one Ge atom. There are four shorter (3.23 Å) and two longer (3.24 Å) Ho–Mn bond lengths. All Ho–Ga bond lengths are 2.94 Å. The Ho–Ge bond length is 2.92 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Ho, two equivalent Mn, two equivalent Ga, and two equivalent Ge atoms. Both Mn–Mn bond lengths are 2.83 Å. Both Mn–Ga bond lengths are 2.80 Å. Both Mn–Ge bond lengths are 2.59 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Ho, two Mn, two equivalent Ga, and two equivalent Ge atoms. The Mn–Mn bond length is 2.83 Å. Both Mn–Ga bond lengths are 2.80 Å. Both Mn–Ge bond lengths are 2.59 Å. Ga is bonded in a 9-coordinate geometry to six Ho and three Mn atoms. Ge is bonded in a 9-coordinate geometry to three Ho and six Mn atoms.

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Materials Data on Ho2Fe17N3 by Materials Project

Ho2Fe17N3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted trigonal planar geometry to eight Fe and three equivalent N atoms. There are two shorter (3.00 Å) and six longer (3.26 Å) Ho–Fe bond lengths. All Ho–N bond lengths are 2.53 Å. In the second Ho site, Ho is bonded in a distorted trigonal planar geometry to eight Fe and three equivalent N atoms. There are two shorter (3.00 Å) and six longer (3.26 Å) Ho–Fe bond lengths. All Ho–N bond lengths are 2.53 Å. In the third Ho site, Ho is bonded in a trigonal planar geometry to three equivalent N atoms. All Ho–N bond lengths are 2.45 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two Ho and ten Fe atoms to form FeHo2Fe10 cuboctahedra that share corners with four equivalent FeHo2Fe10 cuboctahedra, corners with two equivalent NHo2Fe4 octahedra, faces with six equivalent FeHo2Fe10 cuboctahedra, and faces with four equivalent NHo2Fe4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are eight shorter (2.48 Å) and two longer (2.65 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one N atom. Both Fe–Fe bond lengths are 2.72 Å. The Fe–N bond length is 1.88 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to one Ho and thirteen Fe atoms. There are one shorter (2.40 Å) and three longer (2.68 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a single-bond geometry to three Fe and one N atom. The Fe–N bond length is 1.92 Å. N is bonded to two Ho and four Fe atoms to form NHo2Fe4 octahedra that share corners with two equivalent FeHo2Fe10 cuboctahedra, corners with four equivalent NHo2Fe4 octahedra, and faces with four equivalent FeHo2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

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Materials Data on Ho2Mn17C3 by Materials Project

Ho2Mn17C3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted trigonal planar geometry to eight Mn and three equivalent C atoms. There are two shorter (3.00 Å) and six longer (3.23 Å) Ho–Mn bond lengths. All Ho–C bond lengths are 2.50 Å. In the second Ho site, Ho is bonded in a distorted trigonal planar geometry to eight Mn and three equivalent C atoms. There are two shorter (3.00 Å) and six longer (3.23 Å) Ho–Mn bond lengths. All Ho–C bond lengths are 2.50 Å. In the third Ho site, Ho is bonded in a trigonal planar geometry to three equivalent C atoms. All Ho–C bond lengths are 2.43 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to two Ho and ten Mn atoms to form MnHo2Mn10 cuboctahedra that share corners with four equivalent MnHo2Mn10 cuboctahedra, corners with two equivalent CHo2Mn4 octahedra, faces with six equivalent MnHo2Mn10 cuboctahedra, and faces with four equivalent CHo2Mn4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Mn–Mn bond distances ranging from 2.44–2.63 Å. In the second Mn site, Mn is bonded in a single-bond geometry to four Mn and one C atom. Both Mn–Mn bond lengths are 2.66 Å. The Mn–C bond length is 1.88 Å. In the third Mn site, Mn is bonded in a 2-coordinate geometry to one Ho and thirteen Mn atoms. There are one shorter (2.32 Å) and three longer (2.64 Å) Mn–Mn bond lengths. In the fourth Mn site, Mn is bonded in a single-bond geometry to three Mn and one C atom. The Mn–C bond length is 1.90 Å. C is bonded to two Ho and four Mn atoms to form CHo2Mn4 octahedra that share corners with two equivalent MnHo2Mn10 cuboctahedra, corners with four equivalent CHo2Mn4 octahedra, and faces with four equivalent MnHo2Mn10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

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Materials Data on Ho5Bi3 by Materials Project

Ho5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Ho–Bi bond distances ranging from 3.11–3.53 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Ho–Bi bond distances ranging from 3.12–3.51 Å. In the third Ho site, Ho is bonded to five Bi atoms to form distorted edge-sharing HoBi5 square pyramids. There are a spread of Ho–Bi bond distances ranging from 3.17–3.25 Å. In the fourth Ho site, Ho is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Ho–Bi bond distances ranging from 3.06–3.37 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Ho atoms.

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Materials Data on Ho2Fe17C3 by Materials Project

Ho2Fe17C3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a trigonal planar geometry to three equivalent C atoms. All Ho–C bond lengths are 2.47 Å. In the second Ho site, Ho is bonded in a distorted trigonal planar geometry to eight Fe and three equivalent C atoms. There are two shorter (2.97 Å) and six longer (3.24 Å) Ho–Fe bond lengths. All Ho–C bond lengths are 2.50 Å. In the third Ho site, Ho is bonded in a distorted trigonal planar geometry to eight Fe and three equivalent C atoms. There are two shorter (2.97 Å) and six longer (3.24 Å) Ho–Fe bond lengths. All Ho–C bond lengths are 2.50 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two Ho and ten Fe atoms to form FeHo2Fe10 cuboctahedra that share corners with four equivalent FeHo2Fe10 cuboctahedra, corners with two equivalent CHo2Fe4 octahedra, faces with six equivalent FeHo2Fe10 cuboctahedra, and faces with four equivalent CHo2Fe4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Fe–Fe bond distances ranging from 2.47–2.64 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one C atom. Both Fe–Fe bond lengths are 2.72 Å. The Fe–C bond length is 1.86 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to one Ho and thirteen Fe atoms. There are one shorter (2.37 Å) and three longer (2.68 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a single-bond geometry to three Fe and one C atom. The Fe–C bond length is 1.91 Å. C is bonded to two Ho and four Fe atoms to form CHo2Fe4 octahedra that share corners with two equivalent FeHo2Fe10 cuboctahedra, corners with four equivalent CHo2Fe4 octahedra, and faces with four equivalent FeHo2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

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Materials Data on Ho12Al7Si by Materials Project

Ho12Al7Si crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to six Al atoms. There are a spread of Ho–Al bond distances ranging from 2.96–3.70 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to five Al and one Si atom. There are a spread of Ho–Al bond distances ranging from 3.02–3.31 Å. The Ho–Si bond length is 3.00 Å. In the third Ho site, Ho is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Ho–Al bond distances ranging from 3.09–3.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to nine Ho atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. In the third Al site, Al is bonded in a 10-coordinate geometry to nine Ho and one Al atom. The Al–Al bond length is 2.75 Å. Si is bonded in a 8-coordinate geometry to eight equivalent Ho atoms.

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Materials Data on Ho4CdNi by Materials Project

Ho4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Ho–Ni bond lengths are 2.78 Å. All Ho–Cd bond lengths are 3.39 Å. In the second Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Ho–Ni bond lengths are 2.78 Å. Both Ho–Cd bond lengths are 3.45 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Ho–Ni bond lengths are 3.44 Å. Both Ho–Cd bond lengths are 3.21 Å. Ni is bonded in a 6-coordinate geometry to nine Ho atoms. Cd is bonded to nine Ho and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdHo9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Ho4CdIr by Materials Project

Ho4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Ho–Ir bond lengths are 2.82 Å. All Ho–Cd bond lengths are 3.42 Å. In the second Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Ho–Ir bond lengths are 2.80 Å. Both Ho–Cd bond lengths are 3.48 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Ho–Ir bond lengths are 3.47 Å. Both Ho–Cd bond lengths are 3.25 Å. Ir is bonded in a 6-coordinate geometry to nine Ho atoms. Cd is bonded to nine Ho and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdHo9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Ho4Ni13C4 by Materials Project

Ho4Ni13C4 crystallizes in the orthorhombic Cmmm 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 eleven Ni and four equivalent C atoms. There are a spread of Ho–Ni bond distances ranging from 2.62–3.19 Å. All Ho–C bond lengths are 2.69 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to fourteen Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.65–3.02 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Ho and eight Ni atoms to form NiHo4Ni8 cuboctahedra that share corners with four equivalent CNi6 octahedra and faces with two equivalent NiHo4Ni8 cuboctahedra. The corner-sharing octahedral tilt angles are 34°. There are four shorter (2.40 Å) and four longer (2.49 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to four Ho and two C atoms. There is one shorter (1.88 Å) and one longer (1.90 Å) Ni–C bond length. In the third Ni site, Ni is bonded in a linear geometry to four Ho and two equivalent C atoms. Both Ni–C bond lengths are 1.92 Å. In the fourth Ni site, Ni is bonded in a single-bond geometry to four Ho, three Ni, and one C atom. Both Ni–Ni bond lengths are 2.41 Å. The Ni–C bond length is 1.86 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to three Ho and six Ni atoms. There are two inequivalent C sites. In the first C site, C is bonded in a 7-coordinate geometry to four equivalent Ho, two equivalent Ni, and one C atom. The C–C bond length is 1.35 Å. In the second C site, C is bonded to six Ni atoms to form CNi6 octahedra that share corners with two equivalent NiHo4Ni8 cuboctahedra and corners with two equivalent CNi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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