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Materials Data on Ce2Sm2O7 by Materials Project

Sm2Ce2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.39 Å) and six longer (2.56 Å) Sm–O bond lengths. Ce4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Ce–O bond lengths are 2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Ce4+ atoms to form a mixture of distorted edge and corner-sharing OCe2Sm2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.

36 MATERIALS SCIENCE↗