Materials Data on Cs3LiI4 by Materials Project

Kristin Persson
Cs3LiI4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to six I1- atoms to form distorted CsI6 pentagonal pyramids that share corners with four equivalent CsI6 octahedra, corners with four equivalent LiI4 tetrahedra, edges with two equivalent CsI6 octahedra, and faces with two equivalent CsI6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 40°. There are a spread...
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