Materials Data on La2C2N4O by Materials Project

Abstract

La2C2N4O crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to six N3- and two equivalent O2- atoms. There are a spread of La–N bond distances ranging from 2.60–2.84 Å. There are one shorter (2.42 Å) and one longer (2.46 Å) La–O bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent La3+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent La3+ and one C4+ atom. O2- is bonded to four equivalent La3+ atoms to form edge-sharing OLa4 tetrahedra.