Materials Data on Sr2Sb3 by Materials Project

Abstract

Sr2Sb3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to eight Sb+1.33- atoms to form a mixture of distorted edge, face, and corner-sharing SrSb8 hexagonal bipyramids. There are a spread of Sr–Sb bond distances ranging from 3.39–3.62 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Sb+1.33- atoms. There are a spread of Sr–Sb bond distances ranging from 3.38–3.63 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to nine Sb+1.33- atoms. There are a spread of Sr–Sb bond distances ranging from 3.39–3.94 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine Sb+1.33- atoms. There are a spread of Sr–Sb bond distances ranging from 3.36–3.96 Å. There are six inequivalent Sb+1.33- sites. In the first Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to six Sr2+ and two Sb+1.33- atoms. There are one shorter (2.94 Å) and one longer (2.96 Å) Sb–Sb bond lengths. In the second Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to six Sr2+ and one Sb+1.33- atom. In the third Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to six Sr2+ and one Sb+1.33- atom. The Sb–Sb bond length is 2.98 Å. In the fourth Sb+1.33- site, Sb+1.33- is bonded in a 8-coordinate geometry to six Sr2+ and two Sb+1.33- atoms. The Sb–Sb bond length is 2.94 Å. In the fifth Sb+1.33- site, Sb+1.33- is bonded in a 4-coordinate geometry to five Sr2+ and two Sb+1.33- atoms. The Sb–Sb bond length is 3.08 Å. In the sixth Sb+1.33- site, Sb+1.33- is bonded in a 7-coordinate geometry to five Sr2+ and two Sb+1.33- atoms.