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DOE OSTI2020

Materials Data on LiOsO3 by Materials Project

LiOsO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Li–O bond lengths are 1.93 Å. Os5+ is bonded to six equivalent O2- atoms to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Os–O bond lengths are 1.96 Å. O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Os5+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LiOsO3 by Materials Project

LiOsO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (1.96 Å) and three longer (2.36 Å) Li–O bond lengths. Os5+ is bonded to six equivalent O2- atoms to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 39°. There is three shorter (1.95 Å) and three longer (1.97 Å) Os–O bond length. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Os5+ atoms.

36 MATERIALS SCIENCE↗