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DOE OSTI2020

Materials Data on Eu(MgGa)2 by Materials Project

Eu(MgGa)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Ga atoms to form MgGa4 tetrahedra that share corners with eight equivalent EuGa8 hexagonal bipyramids, corners with four equivalent MgGa4 tetrahedra, edges with four equivalent EuGa8 hexagonal bipyramids, and edges with four equivalent MgGa4 tetrahedra. All Mg–Ga bond lengths are 2.81 Å. Eu is bonded to eight equivalent Ga atoms to form distorted EuGa8 hexagonal bipyramids that share corners with sixteen equivalent MgGa4 tetrahedra, edges with four equivalent EuGa8 hexagonal bipyramids, edges with eight equivalent MgGa4 tetrahedra, and faces with four equivalent EuGa8 hexagonal bipyramids. All Eu–Ga bond lengths are 3.42 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Mg, four equivalent Eu, and one Ga atom. The Ga–Ga bond length is 2.50 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Eu2MgGa3 by Materials Project

MgEu2Ga3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to six Eu and four Ga atoms. There are a spread of Mg–Eu bond distances ranging from 3.23–3.50 Å. There are a spread of Mg–Ga bond distances ranging from 2.76–2.89 Å. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to three equivalent Mg and nine Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.19–3.44 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to three equivalent Mg and nine Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.20–3.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to one Mg, six Eu, and three Ga atoms. There are two shorter (2.72 Å) and one longer (2.88 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mg, six Eu, and two Ga atoms. The Ga–Ga bond length is 2.64 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Mg, six Eu, and three Ga atoms.

36 MATERIALS SCIENCE↗