Materials Data on Li2SiO3 by Materials Project

Abstract

Li2SiO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with five equivalent SiO4 tetrahedra and corners with seven equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.19 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and corners with ten equivalent LiO4 tetrahedra. There is two shorter (1.61 Å) and two longer (1.70 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Si4+ atoms to form distorted corner-sharing OLi2Si2 tetrahedra. In the second O2- site, O2- is bonded to three equivalent Li1+ and one Si4+ atom to form distorted corner-sharing OLi3Si tetrahedra.