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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LuNi5 by Materials Project

LuNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.78 Å) and twelve longer (3.11 Å) Lu–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Lu and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiLu4Ni8 cuboctahedra. There are four shorter (2.40 Å) and four longer (2.42 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to three equivalent Lu and nine Ni atoms to form distorted NiLu3Ni9 cuboctahedra that share corners with twenty-one NiLu4Ni8 cuboctahedra, edges with six equivalent NiLu3Ni9 cuboctahedra, and faces with twenty-three NiLu4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuNi2 by Materials Project

LuNi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Lu–Ni bond lengths are 2.93 Å. Ni is bonded to six equivalent Lu and six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing NiLu6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuNi by Materials Project

LuNi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.80–2.85 Å. Ni is bonded in a 9-coordinate geometry to seven equivalent Lu and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2Ni17 by Materials Project

Lu2Ni17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.86–3.19 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to twenty Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.82–3.10 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Lu and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.37–2.72 Å. In the second Ni site, Ni is bonded to two equivalent Lu and ten Ni atoms to form NiLu2Ni10 cuboctahedra that share corners with fourteen NiLu2Ni10 cuboctahedra, edges with six equivalent NiLu3Ni9 cuboctahedra, and faces with ten NiLu2Ni10 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 Lu and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.38–2.52 Å. In the fourth Ni site, Ni is bonded to three Lu and nine Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiLu3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuNi3 by Materials Project

LuNi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Ni atoms to form LuNi12 cuboctahedra that share corners with twelve equivalent LuNi12 cuboctahedra, edges with twenty-four equivalent NiLu4Ni8 cuboctahedra, faces with six equivalent LuNi12 cuboctahedra, and faces with twelve equivalent NiLu4Ni8 cuboctahedra. All Lu–Ni bond lengths are 2.68 Å. Ni is bonded to four equivalent Lu and eight equivalent Ni atoms to form distorted NiLu4Ni8 cuboctahedra that share corners with twelve equivalent NiLu4Ni8 cuboctahedra, edges with eight equivalent LuNi12 cuboctahedra, edges with sixteen equivalent NiLu4Ni8 cuboctahedra, faces with four equivalent LuNi12 cuboctahedra, and faces with fourteen equivalent NiLu4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.68 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu4Ni by Materials Project

Lu4Ni is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Lu4Ni clusters. Lu is bonded in a single-bond geometry to one Ni atom. The Lu–Ni bond length is 2.48 Å. Ni is bonded in a tetrahedral geometry to four equivalent Lu atoms.

36 MATERIALS SCIENCE↗