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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb2InCu2 by Materials Project

Yb2Cu2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent In atoms. There are two shorter (2.88 Å) and four longer (2.93 Å) Yb–Cu bond lengths. All Yb–In bond lengths are 3.34 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Yb, one Cu, and two equivalent In atoms. The Cu–Cu bond length is 2.49 Å. Both Cu–In bond lengths are 3.01 Å. In is bonded to eight equivalent Yb and four equivalent Cu atoms to form a mixture of corner and face-sharing InYb8Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbInCu4 by Materials Project

YbInCu4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Yb–Cu bond lengths are 2.98 Å. All Yb–In bond lengths are 3.11 Å. Cu is bonded to three equivalent Yb, six equivalent Cu, and three equivalent In atoms to form a mixture of face, edge, and corner-sharing CuYb3In3Cu6 cuboctahedra. There are three shorter (2.53 Å) and three longer (2.54 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 2.97 Å. In is bonded in a 4-coordinate geometry to four equivalent Yb and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(InCu)6 by Materials Project

Yb(CuIn)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Yb is bonded to twelve Cu and eight In atoms to form distorted YbIn8Cu12 hexagonal bipyramids that share corners with eight equivalent YbIn8Cu12 hexagonal bipyramids, faces with twenty-four CuYb2In6Cu4 cuboctahedra, and faces with two equivalent YbIn8Cu12 hexagonal bipyramids. There are four shorter (3.46 Å) and eight longer (3.56 Å) Yb–Cu bond lengths. There are a spread of Yb–In bond distances ranging from 3.14–3.18 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Yb, four Cu, and six In atoms to form distorted CuYb2In6Cu4 cuboctahedra that share corners with fourteen CuYb2In6Cu4 cuboctahedra, edges with six CuYb2In6Cu4 cuboctahedra, faces with ten CuYb2In6Cu4 cuboctahedra, and faces with four equivalent YbIn8Cu12 hexagonal bipyramids. There are two shorter (2.68 Å) and two longer (2.70 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.77–2.82 Å. In the second Cu site, Cu is bonded to two equivalent Yb, four equivalent Cu, and six In atoms to form distorted CuYb2In6Cu4 cuboctahedra that share corners with fourteen CuYb2In6Cu4 cuboctahedra, edges with seven CuYb2In6Cu4 cuboctahedra, faces with nine CuYb2In6Cu4 cuboctahedra, and faces with four equivalent YbIn8Cu12 hexagonal bipyramids. There are a spread of Cu–In bond distances ranging from 2.74–2.88 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to one Yb and six Cu atoms. In the second In site, In is bonded in a 8-coordinate geometry to one Yb, six Cu, and one In atom. The In–In bond length is 3.02 Å. In the third In site, In is bonded in a 8-coordinate geometry to two equivalent Yb and six Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbIn7Cu5 by Materials Project

YbCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Yb–Cu bond distances ranging from 3.52–3.69 Å. There are a spread of Yb–In bond distances ranging from 3.14–3.56 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Yb, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.71–2.86 Å. There are a spread of Cu–In bond distances ranging from 2.72–3.01 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Yb, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.79–2.98 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to one Yb, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 3.01–3.14 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Yb, six Cu, and three In atoms. Both In–In bond lengths are 3.29 Å. In the third In site, In is bonded in a 10-coordinate geometry to one Yb, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.00–3.11 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Yb, four equivalent Cu, and six In atoms. Both In–In bond lengths are 2.96 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Yb, five Cu, and five In atoms.

36 MATERIALS SCIENCE↗