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DOE OSTI2020

Materials Data on CaEu3 by Materials Project

CaEu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Eu atoms to form CaEu12 cuboctahedra that share corners with six equivalent CaEu12 cuboctahedra, corners with twelve equivalent EuCa4Eu8 cuboctahedra, edges with eighteen equivalent EuCa4Eu8 cuboctahedra, faces with eight equivalent CaEu12 cuboctahedra, and faces with twelve equivalent EuCa4Eu8 cuboctahedra. All Ca–Eu bond lengths are 3.99 Å. Eu is bonded to four equivalent Ca and eight equivalent Eu atoms to form EuCa4Eu8 cuboctahedra that share corners with four equivalent CaEu12 cuboctahedra, corners with fourteen equivalent EuCa4Eu8 cuboctahedra, edges with six equivalent CaEu12 cuboctahedra, edges with twelve equivalent EuCa4Eu8 cuboctahedra, faces with four equivalent CaEu12 cuboctahedra, and faces with sixteen equivalent EuCa4Eu8 cuboctahedra. There are six shorter (3.98 Å) and two longer (4.01 Å) Eu–Eu bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Eu by Materials Project

Ca3Eu is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Eu atoms to form CaCa8Eu4 cuboctahedra that share corners with twelve equivalent CaCa8Eu4 cuboctahedra, edges with eight equivalent EuCa12 cuboctahedra, edges with sixteen equivalent CaCa8Eu4 cuboctahedra, faces with four equivalent EuCa12 cuboctahedra, and faces with fourteen equivalent CaCa8Eu4 cuboctahedra. All Ca–Ca bond lengths are 4.12 Å. All Ca–Eu bond lengths are 4.12 Å. Eu is bonded to twelve equivalent Ca atoms to form EuCa12 cuboctahedra that share corners with twelve equivalent EuCa12 cuboctahedra, edges with twenty-four equivalent CaCa8Eu4 cuboctahedra, faces with six equivalent EuCa12 cuboctahedra, and faces with twelve equivalent CaCa8Eu4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Eu by Materials Project

Ca3Eu is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Eu atoms to form CaCa8Eu4 cuboctahedra that share corners with four equivalent EuCa12 cuboctahedra, corners with fourteen equivalent CaCa8Eu4 cuboctahedra, edges with six equivalent EuCa12 cuboctahedra, edges with twelve equivalent CaCa8Eu4 cuboctahedra, faces with four equivalent EuCa12 cuboctahedra, and faces with sixteen equivalent CaCa8Eu4 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.90–3.95 Å. There are two shorter (3.91 Å) and two longer (3.94 Å) Ca–Eu bond lengths. Eu is bonded to twelve equivalent Ca atoms to form EuCa12 cuboctahedra that share corners with six equivalent EuCa12 cuboctahedra, corners with twelve equivalent CaCa8Eu4 cuboctahedra, edges with eighteen equivalent CaCa8Eu4 cuboctahedra, faces with eight equivalent EuCa12 cuboctahedra, and faces with twelve equivalent CaCa8Eu4 cuboctahedra.

36 MATERIALS SCIENCE↗