LiCaN is Baddeleyite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a trigonal planar geometry to three 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. N(1) is bonded to three equivalent Li(1) and four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing NLi3Ca4 pentagonal bipyramids.
LiCaN is Baddeleyite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. There are two shorter (2.07 Å) and one longer (2.10 Å) Li(1)-N(1) bond length. Ca(1) is bonded to four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CaN4 tetrahedra. There are a spread of Ca(1)-N(1) bond distances ranging from 2.44-2.48 Å. N(1) is bonded to three equivalent Li(1) and four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing NLi3Ca4 pentagonal bipyramids.