Materials Data on Li2Ca(MnN)2 by Materials Project

Abstract

Li2Ca(MnN)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to three equivalent N atoms. There are one shorter (2.07 Å) and two longer (2.10 Å) Li–N bond lengths. Ca is bonded in a square co-planar geometry to four equivalent N atoms. All Ca–N bond lengths are 2.60 Å. Mn is bonded in a linear geometry to two equivalent N atoms. Both Mn–N bond lengths are 1.87 Å. N is bonded to three equivalent Li, two equivalent Ca, and two equivalent Mn atoms to form a mixture of distorted edge and corner-sharing NLi3Ca2Mn2 pentagonal bipyramids.