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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZrGaRu2 by Materials Project

ZrRu2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Zr–Ru bond lengths are 2.73 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Ga atoms. All Ru–Ga bond lengths are 2.73 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrGaRu2 by Materials Project

ZrRu2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ZrRu2Ga ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to two equivalent Ru atoms. Both Zr–Ru bond lengths are 2.25 Å. Ru is bonded in a linear geometry to one Zr and one Ga atom. The Ru–Ga bond length is 2.48 Å. Ga is bonded in a linear geometry to two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr6Ga16Ru7 by Materials Project

Zr6Ru7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ru and eight Ga atoms. All Zr–Ru bond lengths are 3.15 Å. There are four shorter (2.83 Å) and four longer (3.01 Å) Zr–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Zr and eight Ga atoms to form a mixture of distorted corner and face-sharing RuZr4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.72 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Zr and three equivalent Ru atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Zr and four Ru atoms.

36 MATERIALS SCIENCE↗