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Materials Data on Sr2LiSiO4 by Materials Project

LiSr2SiO4 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (1.99 Å) and two longer (2.29 Å) Li–O bond lengths. Sr is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.60 Å. Si is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.65 Å) and two longer (1.67 Å) Si–O bond length. There are two inequivalent O sites. In the first O site, O is bonded to one Li, two equivalent Sr, and one Si atom to form distorted corner-sharing OSr2LiSi tetrahedra. In the second O site, O is bonded in a 1-coordinate geometry to one Li, two equivalent Sr, and one Si atom.

36 MATERIALS SCIENCE↗

Materials Data on SrLi2SiO4 by Materials Project

Li2SrSiO4 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.04 Å. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.70 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with eight equivalent LiO4 tetrahedra. All Si–O bond lengths are 1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, two equivalent Sr2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, two equivalent Sr2+, and one Si4+ atom.

36 MATERIALS SCIENCE↗