Materials Data on LiBO2 by Materials Project
LiBO2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 1.98 Å. B3+ is bonded to four equivalent O2- atoms to form corner-sharing BO4 tetrahedra. All B–O bond lengths are 1.49 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent B3+ atoms.
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