Materials Data on LaCN2Cl by Materials Project

Abstract

LaCN2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to five N3- and four equivalent Cl1- atoms. There are a spread of La–N bond distances ranging from 2.56–2.67 Å. There are a spread of La–Cl bond distances ranging from 3.06–3.21 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two 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. Cl1- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms.