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At least 613 records · Page 34
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DOE OSTI2020

Materials Data on Lu3AlC by Materials Project

Lu3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Lu–Al bond lengths are 3.36 Å. Both Lu–C bond lengths are 2.37 Å. Al is bonded to twelve equivalent Lu atoms to form AlLu12 cuboctahedra that share corners with twelve equivalent AlLu12 cuboctahedra, faces with six equivalent AlLu12 cuboctahedra, and faces with eight equivalent CLu6 octahedra. C is bonded to six equivalent Lu atoms to form CLu6 octahedra that share corners with six equivalent CLu6 octahedra and faces with eight equivalent AlLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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DOE OSTI2020

Materials Data on LuBiPt by Materials Project

LuPtBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Lu is bonded to four equivalent Pt and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing LuBi6Pt4 tetrahedra. All Lu–Pt bond lengths are 2.89 Å. All Lu–Bi bond lengths are 3.33 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Bi atoms. All Pt–Bi bond lengths are 2.89 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Pt atoms.

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Materials Data on Lu4Ge6Os7 by Materials Project

Lu4Os7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Lu is bonded to six equivalent Os and six equivalent Ge atoms to form LuGe6Os6 cuboctahedra that share corners with twelve equivalent LuGe6Os6 cuboctahedra, faces with six equivalent LuGe6Os6 cuboctahedra, and faces with two equivalent OsGe6 octahedra. All Lu–Os bond lengths are 2.94 Å. All Lu–Ge bond lengths are 2.98 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to six equivalent Ge atoms to form OsGe6 octahedra that share faces with eight equivalent LuGe6Os6 cuboctahedra. All Os–Ge bond lengths are 2.58 Å. In the second Os site, Os is bonded in a 12-coordinate geometry to four equivalent Lu and four equivalent Ge atoms. All Os–Ge bond lengths are 2.61 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Lu and five Os atoms.

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Materials Data on LuGaNi2 by Materials Project

LuNi2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Ga atoms. All Lu–Ni bond lengths are 2.68 Å. All Lu–Ga bond lengths are 3.10 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.68 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Lu and eight equivalent Ni atoms.

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DOE OSTI2020

Materials Data on LuGaAg by Materials Project

LuAgGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Ga atoms. There are a spread of Lu–Ag bond distances ranging from 3.08–3.25 Å. There are a spread of Lu–Ga bond distances ranging from 3.11–3.26 Å. Ag is bonded in a 10-coordinate geometry to six equivalent Lu, one Ag, and three equivalent Ga atoms. The Ag–Ag bond length is 2.78 Å. There are two shorter (2.61 Å) and one longer (2.87 Å) Ag–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Lu, three equivalent Ag, and one Ga atom. The Ga–Ga bond length is 2.55 Å.

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Materials Data on Lu2CdPd2 by Materials Project

Lu2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.82 Å) and four longer (2.95 Å) Lu–Pd bond lengths. All Lu–Cd bond lengths are 3.37 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Lu, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.78 Å. Both Pd–Cd bond lengths are 3.01 Å. Cd is bonded to eight equivalent Lu and four equivalent Pd atoms to form a mixture of distorted face and corner-sharing CdLu8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiLu2Pt by Materials Project

LiLu2Pt is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. All Li–Lu bond lengths are 2.98 Å. Lu is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms. All Lu–Pt bond lengths are 2.98 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu6Mn23 by Materials Project

Lu6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Lu–Mn bond distances ranging from 2.90–3.01 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Lu and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.43–2.57 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.49 Å. In the third Mn site, Mn is bonded to four equivalent Lu and eight Mn atoms to form a mixture of corner and face-sharing MnLu4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.59 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Lu and ten Mn atoms. All Mn–Mn bond lengths are 2.88 Å.

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Materials Data on LuGaPt by Materials Project

LuPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to five equivalent Pt and six equivalent Ga atoms. There are one shorter (2.83 Å) and four longer (2.99 Å) Lu–Pt bond lengths. There are a spread of Lu–Ga bond distances ranging from 3.04–3.22 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Lu and four equivalent Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.67 Å. Ga is bonded in a 4-coordinate geometry to six equivalent Lu and four equivalent Pt atoms.

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Materials Data on Lu3Pd4 by Materials Project

Lu3Pd4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Lu is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Lu–Pd bond distances ranging from 2.83–3.26 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Lu atoms. In the second Pd site, Pd is bonded in a distorted octahedral geometry to six equivalent Lu atoms. In the third Pd site, Pd is bonded in a 10-coordinate geometry to seven equivalent Lu and three equivalent Pd atoms. There are one shorter (2.89 Å) and two longer (2.95 Å) Pd–Pd bond lengths.

36 MATERIALS SCIENCE↗
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Materials Data on LuSc3(MnSi)4 by Materials Project

LuSc3(MnSi)4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Lu–Si bond distances ranging from 2.84–2.87 Å. There are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Sc–Si bond distances ranging from 2.77–2.84 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Sc–Si bond distances ranging from 2.77–2.86 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to five Si atoms. There are two shorter (2.75 Å) and three longer (2.80 Å) Sc–Si bond lengths. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four Si atoms to form distorted corner-sharing MnSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.41–2.50 Å. In the second Mn site, Mn is bonded to four Si atoms to form distorted corner-sharing MnSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.42–2.56 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mn–Si bond distances ranging from 2.42–2.62 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mn–Si bond distances ranging from 2.43–2.62 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to one Lu, four Sc, and four Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to five Sc and four Mn atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Lu, three Sc, and four Mn atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to two equivalent Lu, three Sc, and four Mn atoms.

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Materials Data on Lu3Pt4 by Materials Project

Lu3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Lu is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Lu–Pt bond distances ranging from 2.82–3.24 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Lu atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Lu atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Lu and three equivalent Pt atoms. There are one shorter (2.88 Å) and two longer (2.94 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuGaAu by Materials Project

LuAuGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. There are a spread of Lu–Au bond distances ranging from 3.01–3.19 Å. There are a spread of Lu–Ga bond distances ranging from 3.09–3.22 Å. Au is bonded in a 10-coordinate geometry to six equivalent Lu, one Au, and three equivalent Ga atoms. The Au–Au bond length is 2.81 Å. There are two shorter (2.58 Å) and one longer (2.86 Å) Au–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Lu, three equivalent Au, and one Ga atom. The Ga–Ga bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2PdAu by Materials Project

Lu2PdAu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Pd and four equivalent Au atoms. All Lu–Pd bond lengths are 3.01 Å. All Lu–Au bond lengths are 3.01 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuPPd by Materials Project

LuPdP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to six equivalent Pd and five equivalent P atoms. There are a spread of Lu–Pd bond distances ranging from 3.01–3.23 Å. There are a spread of Lu–P bond distances ranging from 2.79–2.88 Å. Pd is bonded to six equivalent Lu, two equivalent Pd, and four equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing PdLu6P4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 2.96 Å. There are a spread of Pd–P bond distances ranging from 2.51–2.73 Å. P is bonded in a 9-coordinate geometry to five equivalent Lu and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on LaLuMg2 by Materials Project

Mg2LuLa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent La atoms. All Mg–Lu bond lengths are 3.34 Å. All Mg–La bond lengths are 3.34 Å. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent La atoms. All Lu–La bond lengths are 3.85 Å. La is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuMnIn by Materials Project

LuMnIn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Lu is bonded to six equivalent Mn and six equivalent In atoms to form a mixture of distorted face and edge-sharing LuMn6In6 cuboctahedra. All Lu–Mn bond lengths are 3.22 Å. All Lu–In bond lengths are 3.22 Å. Mn is bonded in a 3-coordinate geometry to six equivalent Lu and three equivalent In atoms. All Mn–In bond lengths are 2.74 Å. In is bonded in a 3-coordinate geometry to six equivalent Lu and three equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2CuAu by Materials Project

Lu2AuCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Cu atoms. All Lu–Au bond lengths are 2.99 Å. All Lu–Cu bond lengths are 2.99 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.

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