Materials Data on LaOsN3 by Materials Project

Abstract

LaOsN3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of La–N bond distances ranging from 2.48–2.72 Å. Os6+ is bonded to four N3- atoms to form distorted edge-sharing OsN4 tetrahedra. There are a spread of Os–N bond distances ranging from 1.77–1.97 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Os6+ atom. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Os6+ atom. In the third N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Os6+ atoms.