Li2NiN crystallizes in the hexagonal P6/mmm space group. Li(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to six equivalent Li(1) and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing NLi6Ni2 hexagonal bipyramids.
Li2NiN crystallizes in the hexagonal P6/mmm space group. Li(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. All Li(1)-N(1) bond lengths are 2.16 Å. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Ni(1)-N(1) bond lengths are 1.75 Å. N(1) is bonded to six equivalent Li(1) and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing NLi6Ni2 hexagonal bipyramids.