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Materials Data on Li3SbO3 by Materials Project

Li3SbO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Li–O bond lengths are 1.90 Å. In the second Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.04 Å. In the third Li1+ site, Li1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.16 Å. Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.98 Å. O2- is bonded to three Li1+ and one Sb3+ atom to form corner-sharing OLi3Sb tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on Li3SbO3 by Materials Project

Li3SbO3 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Li1+ is bonded to five equivalent O2- atoms to form a mixture of distorted edge and corner-sharing LiO5 square pyramids. There are a spread of Li–O bond distances ranging from 1.93–2.22 Å. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.97 Å. O2- is bonded to five equivalent Li1+ and one Sb3+ atom to form a mixture of edge and corner-sharing OLi5Sb octahedra. The corner-sharing octahedral tilt angles are 20°.

36 MATERIALS SCIENCE↗