LiTiNCl crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to one N(1) and five equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing LiNCl5 octahedra. The corner-sharing octahedral tilt angles are 4°. Ti(1) is bonded in a distorted see-saw-like geometry to four equivalent N(1) and two equivalent Cl(1) atoms. N(1) is bonded to one Li(1) and four equivalent Ti(1) atoms to form a mixture of edge and corner-sharing NLiTi4 trigonal bipyramids. Cl(1) is bonded in a 7-coordinate geometry to five equivalent Li(1) and two equivalent Ti(1) atoms.
LiTiNCl crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to one N(1) and five equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing LiNCl5 octahedra. The corner-sharing octahedral tilt angles are 4°. The Li(1)-N(1) bond length is 2.06 Å. There is one shorter (2.59 Å) and four longer (2.66 Å) Li(1)-Cl(1) bond lengths. Ti(1) is bonded in a distorted see-saw-like geometry to four equivalent N(1) and two equivalent Cl(1) atoms. There are two shorter (2.01 Å) and two longer (2.07 Å) Ti(1)-N(1) bond lengths. Both Ti(1)-Cl(1) bond lengths are 2.93 Å. N(1) is bonded to one Li(1) and four equivalent Ti(1) atoms to form a mixture of edge and corner-sharing NLiTi4 trigonal bipyramids. Cl(1) is bonded in a 7-coordinate geometry to five equivalent Li(1) and two equivalent Ti(1) atoms.