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Materials Data on Dy2(Ga3Ru)3 by Materials Project

Dy2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Dy–Ga bond distances ranging from 3.03–3.18 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to eight Ga atoms. There are four shorter (2.61 Å) and four longer (2.63 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.55–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, two equivalent Ru, and six Ga atoms. There are four shorter (2.72 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.82 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Dy, two equivalent Ru, and six Ga atoms. There are two shorter (2.77 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Dy, three Ru, and three Ga atoms.

36 MATERIALS SCIENCE↗

Materials Data on DyGa3Ru by Materials Project

DyRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Dy–Ru bond lengths are 3.22 Å. There are eight shorter (2.96 Å) and two longer (3.22 Å) Dy–Ga bond lengths. Ru is bonded to four equivalent Dy and eight equivalent Ga atoms to form distorted RuDy4Ga8 cuboctahedra that share corners with four equivalent RuDy4Ga8 cuboctahedra, edges with four equivalent GaDy6 octahedra, and faces with eight equivalent RuDy4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Dy atoms to form GaDy6 octahedra that share corners with six equivalent GaDy6 octahedra and edges with twelve equivalent RuDy4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Dy, three equivalent Ru, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗