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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YSbO3 by Materials Project

YSbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent SbO6 octahedra. All Y–O bond lengths are 3.01 Å. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.13 Å. O2- is bonded in a linear geometry to four equivalent Y3+ and two equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSbO3 by Materials Project

YSbO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.38 Å. Sb3+ is bonded to five O2- atoms to form corner-sharing SbO5 trigonal bipyramids. There are three shorter (2.18 Å) and two longer (2.26 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sb3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Sb3+ atom to form a mixture of edge and corner-sharing OY3Sb tetrahedra.

36 MATERIALS SCIENCE↗