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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YbGa5Co by Materials Project

YbCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Ga atoms to form YbGa12 cuboctahedra that share corners with four equivalent YbGa12 cuboctahedra, faces with four equivalent YbGa12 cuboctahedra, and faces with four equivalent GaYb4Ga8 cuboctahedra. There are eight shorter (2.96 Å) and four longer (2.99 Å) Yb–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.48 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Yb and eight Ga atoms to form distorted GaYb4Ga8 cuboctahedra that share corners with four equivalent GaYb4Ga8 cuboctahedra, faces with four equivalent YbGa12 cuboctahedra, and faces with four equivalent GaYb4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Co, and seven Ga atoms. There are one shorter (2.62 Å) and four longer (2.99 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Co, and seven Ga atoms. There are one shorter (2.62 Å) and four longer (2.99 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Co, and seven Ga atoms. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Co, and seven Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(Ga4Co)2 by Materials Project

Yb(CoGa4)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to thirteen Ga atoms. There are a spread of Yb–Ga bond distances ranging from 3.04–3.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.33–2.62 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.35–2.63 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.79–2.87 Å. In the second Ga site, Ga is bonded in a distorted linear geometry to two equivalent Yb, two equivalent Co, and eight Ga atoms. There are four shorter (2.78 Å) and four longer (2.89 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Co and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.71 Å. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.59–3.00 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and eight Ga atoms. There are one shorter (2.77 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and eight Ga atoms. There are one shorter (2.60 Å) and three longer (3.02 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and six Ga atoms. The Ga–Ga bond length is 2.83 Å. In the eighth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Co, and five Ga atoms. In the ninth Ga site, Ga is bonded in a 1-coordinate geometry to three Co and four Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2(Ga3Co)3 by Materials Project

Yb2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Yb–Ga bond distances ranging from 2.95–3.05 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.52–2.54 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.49–2.55 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Yb, three Co, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.71–2.80 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, three Co, and five Ga atoms. There are one shorter (2.67 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, two equivalent Co, and six Ga atoms. Both Ga–Ga bond lengths are 2.76 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, two equivalent Co, and six Ga atoms. The Ga–Ga bond length is 2.76 Å.

36 MATERIALS SCIENCE↗