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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaNi3Rh2 by Materials Project

LaRh2Ni3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a distorted hexagonal planar geometry to six equivalent Rh and twelve equivalent Ni atoms. All La–Rh bond lengths are 2.93 Å. All La–Ni bond lengths are 3.30 Å. Rh is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Ni atoms. All Rh–Ni bond lengths are 2.56 Å. Ni is bonded to four equivalent La, four equivalent Rh, and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiLa4Ni4Rh4 cuboctahedra. All Ni–Ni bond lengths are 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaNi2Rh3 by Materials Project

LaRh3Ni2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to twelve Rh and six equivalent Ni atoms. There are eight shorter (3.34 Å) and four longer (3.35 Å) La–Rh bond lengths. There are a spread of La–Ni bond distances ranging from 3.06–3.08 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent La, four equivalent Rh, and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing RhLa4Ni4Rh4 cuboctahedra. There are two shorter (2.65 Å) and two longer (2.66 Å) Rh–Rh bond lengths. All Rh–Ni bond lengths are 2.55 Å. In the second Rh site, Rh is bonded to four equivalent La, two equivalent Rh, and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing RhLa4Ni4Rh2 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.55 Å) Rh–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to three equivalent La and six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaNi3Rh2 by Materials Project

LaRh2Ni3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to eight equivalent Rh and ten Ni atoms. All La–Rh bond lengths are 3.27 Å. There are a spread of La–Ni bond distances ranging from 3.00–3.35 Å. Rh is bonded to four equivalent La, two equivalent Rh, and six Ni atoms to form distorted RhLa4Ni6Rh2 cuboctahedra that share corners with four equivalent NiLa4Ni4Rh4 cuboctahedra, corners with twelve equivalent RhLa4Ni6Rh2 cuboctahedra, edges with four equivalent NiLa4Ni4Rh4 cuboctahedra, edges with six equivalent RhLa4Ni6Rh2 cuboctahedra, faces with four equivalent NiLa4Ni4Rh4 cuboctahedra, and faces with six equivalent RhLa4Ni6Rh2 cuboctahedra. Both Rh–Rh bond lengths are 2.66 Å. All Rh–Ni bond lengths are 2.56 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La, four equivalent Rh, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.45 Å. In the second Ni site, Ni is bonded to four equivalent La, four equivalent Rh, and four equivalent Ni atoms to form distorted NiLa4Ni4Rh4 cuboctahedra that share corners with eight equivalent RhLa4Ni6Rh2 cuboctahedra, corners with eight equivalent NiLa4Ni4Rh4 cuboctahedra, edges with two equivalent NiLa4Ni4Rh4 cuboctahedra, edges with eight equivalent RhLa4Ni6Rh2 cuboctahedra, faces with two equivalent NiLa4Ni4Rh4 cuboctahedra, and faces with eight equivalent RhLa4Ni6Rh2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaNi4Rh by Materials Project

LaRhNi4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to four equivalent Rh and fourteen Ni atoms. All La–Rh bond lengths are 3.18 Å. There are six shorter (2.94 Å) and eight longer (3.26 Å) La–Ni bond lengths. Rh is bonded to four equivalent La and eight Ni atoms to form RhLa4Ni8 cuboctahedra that share corners with eight equivalent RhLa4Ni8 cuboctahedra, corners with eight equivalent NiLa4Ni6Rh2 cuboctahedra, edges with two equivalent RhLa4Ni8 cuboctahedra, edges with eight equivalent NiLa4Ni6Rh2 cuboctahedra, faces with two equivalent RhLa4Ni8 cuboctahedra, and faces with eight equivalent NiLa4Ni6Rh2 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.58 Å) Rh–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent La, two equivalent Rh, and four equivalent Ni atoms. All Ni–Ni bond lengths are 2.44 Å. In the second Ni site, Ni is bonded to four equivalent La, two equivalent Rh, and six Ni atoms to form distorted NiLa4Ni6Rh2 cuboctahedra that share corners with four equivalent RhLa4Ni8 cuboctahedra, corners with twelve equivalent NiLa4Ni6Rh2 cuboctahedra, edges with four equivalent RhLa4Ni8 cuboctahedra, edges with six equivalent NiLa4Ni6Rh2 cuboctahedra, faces with four equivalent RhLa4Ni8 cuboctahedra, and faces with six equivalent NiLa4Ni6Rh2 cuboctahedra. Both Ni–Ni bond lengths are 2.47 Å.

36 MATERIALS SCIENCE↗