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At least 721 records · Page 40
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DOE OSTI2020

Materials Data on Ho6FeBi2 by Materials Project

Ho6FeBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Bi atoms. Both Ho–Fe bond lengths are 2.82 Å. Both Ho–Bi bond lengths are 3.29 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to one Fe and four equivalent Bi atoms. The Ho–Fe bond length is 3.23 Å. All Ho–Bi bond lengths are 3.30 Å. Fe is bonded in a 9-coordinate geometry to nine Ho atoms. Bi is bonded in a 9-coordinate geometry to nine Ho atoms.

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Materials Data on Ho6CoBi2 by Materials Project

Ho6CoBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Bi atoms. Both Ho–Co bond lengths are 2.81 Å. Both Ho–Bi bond lengths are 3.30 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to one Co and four equivalent Bi atoms. The Ho–Co bond length is 3.29 Å. All Ho–Bi bond lengths are 3.28 Å. Co is bonded in a 9-coordinate geometry to nine Ho atoms. Bi is bonded in a 9-coordinate geometry to nine Ho atoms.

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Materials Data on Ho3(GePd)4 by Materials Project

Ho3Pd4Ge4 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 Pd and six Ge atoms. There are four shorter (3.06 Å) and two longer (3.12 Å) Ho–Pd bond lengths. There are two shorter (3.03 Å) and four longer (3.04 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to six Ge atoms to form distorted edge-sharing HoGe6 octahedra. All Ho–Ge bond lengths are 3.04 Å. Pd is bonded in a 12-coordinate geometry to three equivalent Ho and four Ge atoms. There are one shorter (2.58 Å) and three longer (2.60 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ho and six equivalent Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.68 Å.

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Materials Data on Ho3(CuGe)4 by Materials Project

Ho3(CuGe)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 Cu and six Ge atoms. There are four shorter (2.99 Å) and two longer (3.06 Å) Ho–Cu bond lengths. There are two shorter (2.98 Å) and four longer (3.04 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to six Ge atoms to form distorted edge-sharing HoGe6 octahedra. There are four shorter (2.93 Å) and two longer (3.01 Å) Ho–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Ho, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.53 Å. There are a spread of Cu–Ge bond distances ranging from 2.48–2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ho and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

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Materials Data on Ho6FeSb2 by Materials Project

Ho6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Ho–Fe bond lengths are 2.82 Å. Both Ho–Sb bond lengths are 3.21 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Ho–Fe bond length is 3.25 Å. All Ho–Sb bond lengths are 3.25 Å. Fe is bonded in a 9-coordinate geometry to nine Ho atoms. Sb is bonded in a 9-coordinate geometry to nine Ho atoms.

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Materials Data on Ho7FeI12 by Materials Project

Ho7FeI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to one Fe and five I atoms to form a mixture of distorted edge and corner-sharing HoFeI5 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The Ho–Fe bond length is 2.59 Å. There are a spread of Ho–I bond distances ranging from 3.08–3.50 Å. In the second Ho site, Ho is bonded to six equivalent I atoms to form edge-sharing HoI6 octahedra. All Ho–I bond lengths are 3.03 Å. Fe is bonded in an octahedral geometry to six equivalent Ho atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Ho atoms. In the second I site, I is bonded in a 3-coordinate geometry to three equivalent Ho atoms.

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Materials Data on Ho5Co2Bi by Materials Project

Ho5Co2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to three equivalent Co and two equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing HoCo3Bi2 square pyramids. There are one shorter (2.83 Å) and two longer (2.86 Å) Ho–Co bond lengths. Both Ho–Bi bond lengths are 3.32 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to four equivalent Co and two equivalent Bi atoms. All Ho–Co bond lengths are 2.93 Å. Both Ho–Bi bond lengths are 3.55 Å. Co is bonded in a 8-coordinate geometry to eight Ho atoms. Bi is bonded in a 10-coordinate geometry to ten Ho atoms.

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Materials Data on LiHo3 by Materials Project

LiHo3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Ho atoms to form LiHo12 cuboctahedra that share corners with four equivalent LiHo12 cuboctahedra, corners with eight 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 HoLi4Ho8 cuboctahedra. There are four shorter (3.38 Å) and eight longer (3.48 Å) Li–Ho bond lengths. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Li and eight Ho atoms to form HoLi4Ho8 cuboctahedra that share corners with twelve equivalent HoLi4Ho8 cuboctahedra, edges with eight equivalent LiHo12 cuboctahedra, edges with sixteen HoLi4Ho8 cuboctahedra, faces with four equivalent LiHo12 cuboctahedra, and faces with fourteen HoLi4Ho8 cuboctahedra. There are four shorter (3.38 Å) and four longer (3.48 Å) Ho–Ho bond lengths. In the second Ho site, Ho is bonded to four equivalent Li and eight equivalent Ho atoms to form distorted HoLi4Ho8 cuboctahedra that share corners with four equivalent HoLi4Ho8 cuboctahedra, corners with eight equivalent LiHo12 cuboctahedra, edges with twenty-four HoLi4Ho8 cuboctahedra, faces with six equivalent LiHo12 cuboctahedra, and faces with twelve HoLi4Ho8 cuboctahedra.

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Materials Data on Ho6Bi2Rh by Materials Project

Ho6RhBi2 crystallizes in the hexagonal P-62m 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 one Rh and four equivalent Bi atoms. The Ho–Rh bond length is 3.32 Å. All Ho–Bi bond lengths are 3.30 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent Bi atoms. Both Ho–Rh bond lengths are 2.86 Å. Both Ho–Bi bond lengths are 3.28 Å. Rh is bonded in a 9-coordinate geometry to nine Ho atoms. Bi is bonded in a 9-coordinate geometry to nine Ho atoms.

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Materials Data on Ho6CoTe2 by Materials Project

Ho6CoTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Te atoms. Both Ho–Co bond lengths are 2.79 Å. Both Ho–Te bond lengths are 3.27 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to one Co and four equivalent Te atoms. The Ho–Co bond length is 3.34 Å. All Ho–Te bond lengths are 3.23 Å. Co is bonded in a 9-coordinate geometry to nine Ho atoms. Te is bonded in a 9-coordinate geometry to nine Ho atoms.

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Materials Data on Ho5BiPt2 by Materials Project

Ho5Pt2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Pt and two equivalent Bi atoms to form distorted corner-sharing HoBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Ho–Pt bond lengths are 3.01 Å. Both Ho–Bi bond lengths are 3.47 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.93 Å) and two longer (2.97 Å) Ho–Pt bond lengths. Both Ho–Bi bond lengths are 3.33 Å. Pt is bonded in a 8-coordinate geometry to eight Ho atoms. Bi is bonded in a 10-coordinate geometry to ten Ho atoms.

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Materials Data on Ho5SbPt2 by Materials Project

Ho5Pt2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Pt and two equivalent Sb atoms to form distorted corner-sharing HoSb2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–49°. All Ho–Pt bond lengths are 2.99 Å. Both Ho–Sb bond lengths are 3.42 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Sb atoms. There are one shorter (2.93 Å) and two longer (2.97 Å) Ho–Pt bond lengths. Both Ho–Sb bond lengths are 3.29 Å. Pt is bonded in a 8-coordinate geometry to eight Ho atoms. Sb is bonded in a 10-coordinate geometry to ten Ho atoms.

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Materials Data on Ho5(GeSb)2 by Materials Project

Ho5(GeSb)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to three equivalent Ge and three equivalent Sb atoms to form distorted HoGe3Sb3 pentagonal pyramids that share corners with three equivalent HoGe4Sb2 octahedra, corners with ten equivalent HoGe3Sb3 pentagonal pyramids, edges with seven equivalent HoGe3Sb3 pentagonal pyramids, faces with two equivalent HoGe4Sb2 octahedra, and faces with two equivalent HoGe3Sb3 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–42°. There are a spread of Ho–Ge bond distances ranging from 2.93–3.08 Å. There are a spread of Ho–Sb bond distances ranging from 3.12–3.18 Å. In the second Ho site, Ho is bonded to four equivalent Ge and two equivalent Sb atoms to form HoGe4Sb2 octahedra that share corners with four equivalent HoGe4Sb2 octahedra, corners with twelve equivalent HoGe3Sb3 pentagonal pyramids, and faces with eight equivalent HoGe3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 48°. There are two shorter (3.05 Å) and two longer (3.07 Å) Ho–Ge bond lengths. Both Ho–Sb bond lengths are 3.09 Å. Ge is bonded in a 8-coordinate geometry to eight Ho atoms. Sb is bonded to seven Ho atoms to form a mixture of distorted edge and corner-sharing SbHo7 pentagonal bipyramids.

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Materials Data on Ho5Ni2Bi by Materials Project

Ho5Ni2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Ni and two equivalent Bi atoms to form distorted HoNi4Bi2 octahedra that share corners with six equivalent HoNi4Bi2 octahedra, corners with sixteen equivalent HoNi3Bi2 trigonal bipyramids, and faces with eight equivalent HoNi3Bi2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–51°. All Ho–Ni bond lengths are 3.00 Å. Both Ho–Bi bond lengths are 3.37 Å. In the second Ho site, Ho is bonded to three equivalent Ni and two equivalent Bi atoms to form distorted HoNi3Bi2 trigonal bipyramids that share corners with four equivalent HoNi4Bi2 octahedra, corners with twelve equivalent HoNi3Bi2 trigonal bipyramids, edges with seven equivalent HoNi3Bi2 trigonal bipyramids, faces with two equivalent HoNi4Bi2 octahedra, and a faceface with one HoNi3Bi2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–62°. There are two shorter (2.86 Å) and one longer (2.94 Å) Ho–Ni bond lengths. Both Ho–Bi bond lengths are 3.29 Å. Ni is bonded in a 8-coordinate geometry to eight Ho atoms. Bi is bonded in a distorted q6 geometry to ten Ho atoms.

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Materials Data on Ho2Fe17H3 by Materials Project

Ho2Fe17H3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to eight Fe and three equivalent H atoms. There are two shorter (2.89 Å) and six longer (3.20 Å) Ho–Fe bond lengths. All Ho–H bond lengths are 2.50 Å. In the second Ho site, Ho is bonded in a trigonal planar geometry to three equivalent H atoms. All Ho–H bond lengths are 2.44 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ho and ten Fe atoms to form FeHo2Fe10 cuboctahedra that share corners with four equivalent FeHo2Fe10 cuboctahedra, corners with two equivalent HHo2Fe4 octahedra, faces with six equivalent FeHo2Fe10 cuboctahedra, and faces with four equivalent HHo2Fe4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Fe–Fe bond distances ranging from 2.43–2.61 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one H atom. Both Fe–Fe bond lengths are 2.73 Å. The Fe–H bond length is 1.82 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 (2.38 Å) and three longer (2.66 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a single-bond geometry to three Fe and one H atom. The Fe–H bond length is 1.90 Å. H is bonded to two Ho and four Fe atoms to form HHo2Fe4 octahedra that share corners with two equivalent FeHo2Fe10 cuboctahedra, corners with four equivalent HHo2Fe4 octahedra, and faces with four equivalent FeHo2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

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Materials Data on NaHo3 by Materials Project

NaHo3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Ho atoms to form NaHo12 cuboctahedra that share corners with four equivalent NaHo12 cuboctahedra, edges with eight equivalent NaHo12 cuboctahedra, edges with sixteen equivalent HoNa4Ho8 cuboctahedra, faces with four equivalent NaHo12 cuboctahedra, and faces with eight equivalent HoNa4Ho8 cuboctahedra. There are four shorter (3.43 Å) and eight longer (3.60 Å) Na–Ho bond lengths. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Na and eight Ho atoms to form HoNa4Ho8 cuboctahedra that share corners with twelve equivalent HoNa4Ho8 cuboctahedra, edges with eight equivalent NaHo12 cuboctahedra, edges with eight equivalent HoNa4Ho8 cuboctahedra, faces with four equivalent NaHo12 cuboctahedra, and faces with ten equivalent HoNa4Ho8 cuboctahedra. There are four shorter (3.43 Å) and four longer (3.60 Å) Ho–Ho bond lengths. In the second Ho site, Ho is bonded in a distorted square co-planar geometry to four equivalent Na and eight equivalent Ho atoms.

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Materials Data on Ho3Ni2 by Materials Project

Ho3Ni2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in an octahedral geometry to six equivalent Ni atoms. All Ho–Ni bond lengths are 2.90 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Ni atoms. There are three shorter (2.75 Å) and three longer (2.90 Å) Ho–Ni bond lengths. In the third Ho site, Ho is bonded in a 5-coordinate geometry to five equivalent Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.81–3.30 Å. Ni is bonded in a 9-coordinate geometry to eight Ho and one Ni atom. The Ni–Ni bond length is 2.53 Å.

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Materials Data on Ho2Ni17 by Materials Project

Ho2Ni17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.89–3.21 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to twenty Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.82–3.12 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Ho and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.39–2.71 Å. In the second Ni site, Ni is bonded to two equivalent Ho and ten Ni atoms to form NiHo2Ni10 cuboctahedra that share corners with fourteen NiHo2Ni10 cuboctahedra, edges with six equivalent NiHo3Ni9 cuboctahedra, and faces with ten NiHo2Ni10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.39 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two Ho and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.37–2.51 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. Both Ni–Ni bond lengths are 2.39 Å.

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