Materials Data on LiCu2BiO4 by Materials Project
LiCu2BiO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.01 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.21 Å. O2- is bonded to one Li1+, two equivalent Cu2+, and one Bi3+ atom to form a mixture of edge and corner-sharing OLiCu2Bi tetrahedra.
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