Materials Data on Sr3(BN2)2 by Materials Project

Abstract

Sr3(BN2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.47–3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.58–3.06 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.42–1.55 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to five Sr2+ and two equivalent B3+ atoms. In the second N3- site, N3- is bonded in a 1-coordinate geometry to four Sr2+ and one B3+ atom.