Materials Data on Li6Mn5Fe(BO3)6 by Materials Project

Kristin Persson
Li6Mn5Fe(BO3)6 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share a cornercorner with one MnO5 square pyramid, corners with two equivalent LiO4 tetrahedra, a cornercorner with one FeO5 trigonal bipyramid, and corners with four MnO5 trigonal bipyramids. There are a spread of Li–O bond distances ranging from 1.98–2.01 Å....
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