Materials Data on LiInS2 by Materials Project
LiInS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with eight equivalent InS4 tetrahedra. There are two shorter (2.45 Å) and two longer (2.48 Å) Li–S bond lengths. In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with eight equivalent LiS4 tetrahedra. There are two shorter (2.49 Å) and two longer (2.50 Å) In–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SLi2In2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SLi2In2 tetrahedra.