Materials Data on K2Li4UO6 by Materials Project
K2Li4UO6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. K1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All K–O bond lengths are 2.58 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share faces with two equivalent UO6 octahedra. All Li–O bond lengths are 2.41 Å. In the second Li1+ site, Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.13 Å. U6+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share faces with two equivalent LiO6 octahedra. All U–O bond lengths are 2.09 Å. O2- is bonded to one K1+, three Li1+, and one U6+ atom to form a mixture of distorted edge and corner-sharing OKLi3U trigonal bipyramids.