Li3NbS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. Li(1) is bonded to four equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with eight equivalent Li(1)S4 tetrahedra and edges with two equivalent Nb(1)S4 tetrahedra. Nb(1) is bonded to four equivalent S(1) atoms to form NbS4 tetrahedra that share edges with six equivalent Li(1)S4 tetrahedra. S(1) is bonded to three equivalent Li(1) and one Nb(1) atom to form a mixture of distorted corner and edge-sharing SLi3Nb trigonal pyramids.
Li3NbS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. Li(1) is bonded to four equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with eight equivalent Li(1)S4 tetrahedra and edges with two equivalent Nb(1)S4 tetrahedra. All Li(1)-S(1) bond lengths are 2.53 Å. Nb(1) is bonded to four equivalent S(1) atoms to form NbS4 tetrahedra that share edges with six equivalent Li(1)S4 tetrahedra. All Nb(1)-S(1) bond lengths are 2.28 Å. S(1) is bonded to three equivalent Li(1) and one Nb(1) atom to form a mixture of distorted corner and edge-sharing SLi3Nb trigonal pyramids.