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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbGa2Ag by Materials Project

TbAgGa2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five equivalent Ag and nine Ga atoms. There are a spread of Tb–Ag bond distances ranging from 3.22–3.44 Å. There are a spread of Tb–Ga bond distances ranging from 3.00–3.49 Å. Ag is bonded in a 12-coordinate geometry to five equivalent Tb, two equivalent Ag, and five Ga atoms. Both Ag–Ag bond lengths are 3.03 Å. There are a spread of Ag–Ga bond distances ranging from 2.68–2.88 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Tb, three equivalent Ag, and three equivalent Ga atoms. There are two shorter (2.65 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to five equivalent Tb, two equivalent Ag, and three equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbGaAg by Materials Project

TbAgGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Ga atoms. There are a spread of Tb–Ag bond distances ranging from 3.12–3.33 Å. There are a spread of Tb–Ga bond distances ranging from 3.17–3.29 Å. Ag is bonded in a 10-coordinate geometry to six equivalent Tb, one Ag, and three equivalent Ga atoms. The Ag–Ag bond length is 2.80 Å. There are two shorter (2.64 Å) and one longer (2.94 Å) Ag–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Tb, three equivalent Ag, and one Ga atom. The Ga–Ga bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb4Ga12Ag by Materials Project

Tb4AgGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded to twelve Ga atoms to form TbGa12 cuboctahedra that share corners with twelve equivalent TbGa12 cuboctahedra, faces with six equivalent TbGa12 cuboctahedra, and faces with two equivalent AgGa6 octahedra. There are six shorter (3.09 Å) and six longer (3.13 Å) Tb–Ga bond lengths. Ag is bonded to six equivalent Ga atoms to form AgGa6 octahedra that share faces with eight equivalent TbGa12 cuboctahedra. All Ag–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.77 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Tb, one Ag, and four equivalent Ga atoms.

36 MATERIALS SCIENCE↗