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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CsSmO2 by Materials Project

CsSmO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.12 Å. Sm3+ is bonded to six equivalent O2- atoms to form edge-sharing SmO6 octahedra. All Sm–O bond lengths are 2.41 Å. O2- is bonded to three equivalent Cs1+ and three equivalent Sm3+ atoms to form a mixture of distorted edge, corner, and face-sharing OCs3Sm3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsSmO3 by Materials Project

CsSmO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent O atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent SmO6 octahedra. All Cs–O bond lengths are 3.29 Å. Sm is bonded to six equivalent O atoms to form SmO6 octahedra that share corners with six equivalent SmO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–O bond lengths are 2.33 Å. O is bonded in a distorted linear geometry to four equivalent Cs and two equivalent Sm atoms.

36 MATERIALS SCIENCE↗