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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiO3 by Materials Project

LiO3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to six equivalent O atoms. There are four shorter (2.23 Å) and two longer (2.25 Å) Li–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to two equivalent O atoms. Both O–O bond lengths are 1.36 Å. In the second O site, O is bonded to three equivalent Li and one O atom to form a mixture of distorted edge and corner-sharing OLi3O tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiMnO7 by Materials Project

LiO3MnO4 is Bismuth triodide-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two mangan(iv)-hydroxyd molecules and one LiO3 ribbon oriented in the (0, 0, 1) direction. In the LiO3 ribbon, Li is bonded to six equivalent O atoms to form distorted face-sharing LiO6 octahedra. All Li–O bond lengths are 1.94 Å. O is bonded in an L-shaped geometry to two equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiClO7 by Materials Project

LiO3ClO4 is Bismuth triodide-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four ClO4 clusters and two LiO3 ribbons oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In each LiO3 ribbon, Li is bonded to six O atoms to form distorted face-sharing LiO6 octahedra. There is four shorter (1.95 Å) and two longer (1.96 Å) Li–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to two equivalent Li atoms. In the second O site, O is bonded in an L-shaped geometry to two equivalent Li atoms.

36 MATERIALS SCIENCE↗