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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YGaRh2 by Materials Project

YRh2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Y–Rh bond lengths are 2.80 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.80 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2(Ga3Rh)3 by Materials Project

Y2(RhGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Y–Ga bond distances ranging from 3.00–3.14 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.55–2.65 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.58–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Y, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.81–2.86 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Rh, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.69–2.81 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Y, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.75–2.97 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Y, two equivalent Rh, and six Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Ga8Rh3 by Materials Project

Y3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to four equivalent Rh and twelve Ga atoms. All Y–Rh bond lengths are 3.48 Å. There are four shorter (3.19 Å) and eight longer (3.22 Å) Y–Ga bond lengths. In the second Y site, Y is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (3.01 Å) and two longer (3.04 Å) Y–Rh bond lengths. There are four shorter (3.06 Å) and four longer (3.16 Å) Y–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four Y and six Ga atoms. There are two shorter (2.54 Å) and four longer (2.60 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to three Y, three Rh, and three equivalent Ga atoms. There are two shorter (2.66 Å) and one longer (2.72 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Y, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YGaRh by Materials Project

YRhGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to five equivalent Rh and six equivalent Ga atoms. There are one shorter (2.88 Å) and four longer (3.04 Å) Y–Rh bond lengths. There are a spread of Y–Ga bond distances ranging from 3.09–3.20 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.60–2.68 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗