Materials Data on Sr7SiB3NO13 by Materials Project
Sr7B3SiNO13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to two equivalent N1- and seven O2- atoms. There are one shorter (2.83 Å) and one longer (3.21 Å) Sr–N bond lengths. There are a spread of Sr–O bond distances ranging from 2.59–3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.77 Å. In the third Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.98 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. N1- is bonded in a 9-coordinate geometry to six equivalent Sr2+ and three equivalent O2- atoms. All N–O bond lengths are 2.93 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+, one B3+, and one N1- atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Sr2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal bipyramidal geometry to four Sr2+ and one Si4+ atom.