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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YbCu5 by Materials Project

YbCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Yb is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.87 Å) and twelve longer (3.22 Å) Yb–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Yb and nine Cu atoms. There are six shorter (2.50 Å) and three longer (2.87 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded to four equivalent Yb and eight Cu atoms to form a mixture of corner, edge, and face-sharing CuYb4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCu by Materials Project

YbCu crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 7-coordinate geometry to seven equivalent Cu atoms. There are a spread of Yb–Cu bond distances ranging from 2.90–3.08 Å. Cu is bonded in a 9-coordinate geometry to seven equivalent Yb and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCu2 by Materials Project

YbCu2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent Cu atoms. There are a spread of Yb–Cu bond distances ranging from 2.91–3.09 Å. Cu is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.47–2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb6Cu23 by Materials Project

Yb6Cu23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Yb–Cu bond distances ranging from 2.84–3.04 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three equivalent Yb and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.47–2.61 Å. In the second Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Cu–Cu bond lengths are 2.55 Å. In the third Cu site, Cu is bonded to four equivalent Yb and eight Cu atoms to form a mixture of corner and face-sharing CuYb4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å. In the fourth Cu site, Cu is bonded in a 3-coordinate geometry to three equivalent Yb and ten Cu atoms. All Cu–Cu bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3Cu by Materials Project

Yb3Cu is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Cu atoms to form distorted YbYb8Cu4 cuboctahedra that share corners with twelve equivalent YbYb8Cu4 cuboctahedra, edges with eight equivalent CuYb12 cuboctahedra, edges with sixteen equivalent YbYb8Cu4 cuboctahedra, faces with four equivalent CuYb12 cuboctahedra, and faces with fourteen equivalent YbYb8Cu4 cuboctahedra. All Yb–Yb bond lengths are 3.44 Å. All Yb–Cu bond lengths are 3.44 Å. Cu is bonded to twelve equivalent Yb atoms to form CuYb12 cuboctahedra that share corners with twelve equivalent CuYb12 cuboctahedra, edges with twenty-four equivalent YbYb8Cu4 cuboctahedra, faces with six equivalent CuYb12 cuboctahedra, and faces with twelve equivalent YbYb8Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗