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DOE OSTI · 1685992

Materials Data on LiMnO3 by Materials Project

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Abstract

LiMnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of Li–O bond distances ranging from 1.95–2.52 Å. Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Mn–O bond distances ranging from 1.90–1.94 Å. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Li and two equivalent Mn atoms to form distorted corner-sharing OLi2Mn2 tetrahedra. In the second O site, O is bonded in a 3-coordinate geometry to three equivalent Li and two equivalent Mn atoms.

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36 MATERIALS SCIENCEcrystal structureLi-Mn-OLiMnO3

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2018-10-29. Materials Data on LiMnO3 by Materials Project. https://doi.org/10.17188/1685992

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