Results for “Li2In” | Engineering Papers

DOE OSTI2020

Materials Data on Li2In by Materials Project

Li2In crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Li2In sheets oriented in the (0, 1, 0) direction. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent In atoms to form a mixture of distorted corner and edge-sharing LiIn4 tetrahedra. There are two shorter (2.82 Å) and two longer (2.90 Å) Li–In bond lengths. In the second Li site, Li is bonded in a distorted water-like geometry to two equivalent In atoms. Both Li–In bond lengths are 2.96 Å. In is bonded in a 6-coordinate geometry to six Li atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li2In(PO4)2 by Materials Project

Li2In(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Li–O bond distances ranging from 1.94–2.32 Å. In is bonded to six O atoms to form InO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are four shorter (2.18 Å) and two longer (2.20 Å) In–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 28–57°. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Li, one In, and one P atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li, one In, and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Li and one P atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to one Li, one In, and one P atom.

36 MATERIALS SCIENCE↗