Materials Data on LiReO3 by Materials Project
LiReO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.06 Å) and three longer (2.36 Å) Li–O bond lengths. Re5+ is bonded to six equivalent O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 35°. There is three shorter (1.94 Å) and three longer (1.97 Å) Re–O bond length. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Re5+ atoms.
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