LiCa2CuN2 crystallizes in the tetragonal P4_2/mnm space group. Li(1) is bonded in a linear geometry to two equivalent N(1) atoms. Ca(1) is bonded to four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CaN4 tetrahedra. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to one Li(1), four equivalent Ca(1), and one Cu(1) atom to form a mixture of corner and edge-sharing NLiCa4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-64°.
LiCa2CuN2 crystallizes in the tetragonal P4_2/mnm space group. Li(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Li(1)-N(1) bond lengths are 1.89 Å. Ca(1) is bonded to four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CaN4 tetrahedra. All Ca(1)-N(1) bond lengths are 2.50 Å. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Cu(1)-N(1) bond lengths are 1.86 Å. N(1) is bonded to one Li(1), four equivalent Ca(1), and one Cu(1) atom to form a mixture of corner and edge-sharing NLiCa4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-64°.