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All sourcesNASA NTRSDOE OSTI
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 CaEu3 by Materials Project

CaEu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. All Ca–Eu bond lengths are 3.86 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 Ca and four equivalent Eu atoms. All Eu–Eu bond lengths are 3.86 Å. In the second Eu site, Eu is bonded in a distorted body-centered cubic geometry to eight equivalent Eu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaEu3 by Materials Project

CaEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded to twelve Eu atoms to form CaEu12 cuboctahedra that share corners with four equivalent CaEu12 cuboctahedra, corners with eight equivalent EuCa4Eu8 cuboctahedra, edges with eight equivalent CaEu12 cuboctahedra, edges with sixteen equivalent EuCa4Eu8 cuboctahedra, faces with four equivalent CaEu12 cuboctahedra, and faces with fourteen EuCa4Eu8 cuboctahedra. There are four shorter (3.91 Å) and eight longer (3.98 Å) Ca–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Ca and eight Eu atoms to form EuCa4Eu8 cuboctahedra that share corners with twelve equivalent EuCa4Eu8 cuboctahedra, edges with eight equivalent CaEu12 cuboctahedra, edges with sixteen EuCa4Eu8 cuboctahedra, faces with four equivalent CaEu12 cuboctahedra, and faces with fourteen EuCa4Eu8 cuboctahedra. There are four shorter (3.91 Å) and four longer (3.98 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Ca and eight equivalent Eu atoms to form EuCa4Eu8 cuboctahedra that share corners with four equivalent EuCa4Eu8 cuboctahedra, corners with eight equivalent CaEu12 cuboctahedra, edges with twenty-four EuCa4Eu8 cuboctahedra, faces with six equivalent CaEu12 cuboctahedra, and faces with twelve EuCa4Eu8 cuboctahedra.

36 MATERIALS SCIENCE↗