Materials Data on Sr3OsN3 by Materials Project

Abstract

Sr3OsN3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.70–2.93 Å. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.71–2.93 Å. In the third Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.70–2.92 Å. Os3+ is bonded in a trigonal planar geometry to three N3- atoms. All Os–N bond lengths are 1.87 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to five Sr2+ and one Os3+ atom to form a mixture of distorted edge and corner-sharing NSr5Os octahedra. The corner-sharing octahedra tilt angles range from 17–45°. In the second N3- site, N3- is bonded to five Sr2+ and one Os3+ atom to form a mixture of distorted edge and corner-sharing NSr5Os octahedra. The corner-sharing octahedra tilt angles range from 18–45°. In the third N3- site, N3- is bonded to five Sr2+ and one Os3+ atom to form a mixture of distorted edge and corner-sharing NSr5Os octahedra. The corner-sharing octahedra tilt angles range from 18–45°.