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DOE OSTI2020

Materials Data on Eu3Mg by Materials Project

MgEu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Eu atoms to form MgEu12 cuboctahedra that share corners with six equivalent MgEu12 cuboctahedra, corners with twelve equivalent EuEu8Mg4 cuboctahedra, edges with eighteen equivalent EuEu8Mg4 cuboctahedra, faces with eight equivalent MgEu12 cuboctahedra, and faces with twelve equivalent EuEu8Mg4 cuboctahedra. There are six shorter (3.70 Å) and six longer (3.77 Å) Mg–Eu bond lengths. Eu is bonded to four equivalent Mg and eight equivalent Eu atoms to form EuEu8Mg4 cuboctahedra that share corners with four equivalent MgEu12 cuboctahedra, corners with fourteen equivalent EuEu8Mg4 cuboctahedra, edges with six equivalent MgEu12 cuboctahedra, edges with twelve equivalent EuEu8Mg4 cuboctahedra, faces with four equivalent MgEu12 cuboctahedra, and faces with sixteen equivalent EuEu8Mg4 cuboctahedra. There are a spread of Eu–Eu bond distances ranging from 3.68–3.85 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Eu3Mg by Materials Project

MgEu3 crystallizes in the orthorhombic Imm2 space group. The structure is two-dimensional and consists of two MgEu3 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a body-centered cubic geometry to eight Eu atoms. There are a spread of Mg–Eu bond distances ranging from 3.44–3.64 Å. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the second Eu site, Eu is bonded in a 4-coordinate geometry to four equivalent Mg atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Eu3Mg by Materials Project

MgEu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Eu atoms to form MgEu12 cuboctahedra that share corners with twelve equivalent MgEu12 cuboctahedra, edges with twenty-four equivalent EuEu8Mg4 cuboctahedra, faces with six equivalent MgEu12 cuboctahedra, and faces with twelve equivalent EuEu8Mg4 cuboctahedra. All Mg–Eu bond lengths are 3.73 Å. Eu is bonded to four equivalent Mg and eight equivalent Eu atoms to form EuEu8Mg4 cuboctahedra that share corners with twelve equivalent EuEu8Mg4 cuboctahedra, edges with eight equivalent MgEu12 cuboctahedra, edges with sixteen equivalent EuEu8Mg4 cuboctahedra, faces with four equivalent MgEu12 cuboctahedra, and faces with fourteen equivalent EuEu8Mg4 cuboctahedra. All Eu–Eu bond lengths are 3.73 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Eu3Mg by Materials Project

MgEu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. All Mg–Eu bond lengths are 3.64 Å. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Eu atoms. All Eu–Eu bond lengths are 3.64 Å. In the second Eu site, Eu is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Eu3Mg by Materials Project

MgEu3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mg is bonded in a distorted q6 geometry to ten Eu atoms. There are a spread of Mg–Eu bond distances ranging from 3.67–3.77 Å. There are three inequivalent Eu sites. In the first Eu site, Eu is bonded to two equivalent Mg and ten Eu atoms to form a mixture of corner, edge, and face-sharing EuEu10Mg2 cuboctahedra. There are a spread of Eu–Eu bond distances ranging from 3.62–3.97 Å. In the second Eu site, Eu is bonded to four equivalent Mg and eight Eu atoms to form a mixture of distorted corner, edge, and face-sharing EuEu8Mg4 cuboctahedra. There are two shorter (3.81 Å) and two longer (3.97 Å) Eu–Eu bond lengths. In the third Eu site, Eu is bonded to four equivalent Mg and eight Eu atoms to form distorted EuEu8Mg4 cuboctahedra that share corners with ten equivalent EuEu8Mg4 cuboctahedra, edges with fourteen EuEu10Mg2 cuboctahedra, and faces with sixteen EuEu10Mg2 cuboctahedra. Both Eu–Eu bond lengths are 3.97 Å.

36 MATERIALS SCIENCE↗