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DOE OSTI2020

Materials Data on YbIn3 by Materials Project

YbIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent In atoms to form YbIn12 cuboctahedra that share corners with twelve equivalent YbIn12 cuboctahedra, edges with twenty-four equivalent InYb4In8 cuboctahedra, faces with six equivalent YbIn12 cuboctahedra, and faces with twelve equivalent InYb4In8 cuboctahedra. All Yb–In bond lengths are 3.31 Å. In is bonded to four equivalent Yb and eight equivalent In atoms to form distorted InYb4In8 cuboctahedra that share corners with twelve equivalent InYb4In8 cuboctahedra, edges with eight equivalent YbIn12 cuboctahedra, edges with sixteen equivalent InYb4In8 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with fourteen equivalent InYb4In8 cuboctahedra. All In–In bond lengths are 3.31 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YbIn by Materials Project

YbIn1 is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Yb–In bond lengths are 3.32 Å. In is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YbIn2 by Materials Project

YbIn2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent In atoms. There are six shorter (3.25 Å) and six longer (3.64 Å) Yb–In bond lengths. In is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent In atoms. There are three shorter (2.94 Å) and one longer (3.11 Å) In–In bond lengths.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Yb2In by Materials Project

Yb2In is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent In atoms. There are a spread of Yb–In bond distances ranging from 3.36–3.71 Å. In the second Yb site, Yb is bonded to four equivalent In atoms to form a mixture of distorted edge and corner-sharing YbIn4 tetrahedra. There are a spread of Yb–In bond distances ranging from 3.22–3.27 Å. In is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Yb3In by Materials Project

Yb3In is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Yb and four equivalent In atoms to form a mixture of distorted edge, face, and corner-sharing YbYb4In4 tetrahedra. All Yb–Yb bond lengths are 3.44 Å. All Yb–In bond lengths are 3.44 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to eight equivalent Yb and six equivalent In atoms. All Yb–In bond lengths are 3.97 Å. In is bonded in a body-centered cubic geometry to fourteen Yb atoms.

36 MATERIALS SCIENCE↗