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DOE OSTI · 1655416

Materials Data on LaTi4Mn3O12 by Materials Project

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Abstract

LaTi4Mn3O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share faces with eight equivalent TiO6 octahedra. All La–O bond lengths are 2.68 Å. Ti+3.75+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 33°. All Ti–O bond lengths are 1.99 Å. Mn2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.15 Å. O2- is bonded in a 3-coordinate geometry to one La3+, two equivalent Ti+3.75+, and one Mn2+ atom.

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36 MATERIALS SCIENCEcrystal structureLa-Mn-O-TiLaTi4Mn3O12

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2020-06-04. Materials Data on LaTi4Mn3O12 by Materials Project. https://doi.org/10.17188/1655416

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