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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmO2 by Materials Project

SmO2 is Baddeleyite-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sm is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sm–O bond distances ranging from 2.31–2.50 Å. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Sm atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmBiO4 by Materials Project

SmO2BiO2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two BiO2 clusters and two SmO2 clusters. In each BiO2 cluster, Bi5+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.40 Å) and one longer (1.45 Å) Bi–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Bi5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Bi5+ atom. In each SmO2 cluster, Sm3+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.37 Å) and one longer (1.95 Å) Sm–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Sm3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ atom.

36 MATERIALS SCIENCE↗