LiInSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Li(1) is bonded to four equivalent Se(1) atoms to form LiSe4 tetrahedra that share corners with four equivalent Li(1)Se4 tetrahedra and corners with eight equivalent In(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with eight equivalent Li(1)Se4 tetrahedra. Se(1) is bonded to two equivalent Li(1) and two equivalent In(1) atoms to form corner-sharing SeLi2In2 tetrahedra.
LiInSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Li(1) is bonded to four equivalent Se(1) atoms to form LiSe4 tetrahedra that share corners with four equivalent Li(1)Se4 tetrahedra and corners with eight equivalent In(1)Se4 tetrahedra. All Li(1)-Se(1) bond lengths are 2.55 Å. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with eight equivalent Li(1)Se4 tetrahedra. All In(1)-Se(1) bond lengths are 2.60 Å. Se(1) is bonded to two equivalent Li(1) and two equivalent In(1) atoms to form corner-sharing SeLi2In2 tetrahedra.