Results for “BaCa4(CoN2)2”

Materials Data on BaCa4(CoN2)2 by Materials Project

BaCa4(CoN2)2 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Ba2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Ba–N bond lengths are 2.93 Å. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of corner and edge-sharing CaN4 trigonal pyramids. There are a spread of Ca–N bond distances ranging from 2.43–2.55 Å. Co1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.79 Å. N3- is bonded in a 6-coordinate geometry to one Ba2+, four equivalent Ca2+, and one Co1+ atom.