Materials Data on Li6Fe(BO3)3 by Materials Project

Kristin Persson
Li6Fe(BO3)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six 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 FeO7 pentagonal bipyramid, an edgeedge with one FeO7 pentagonal bipyramid, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.82–1.94 Å. In the second Li1+ site, Li1+...
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