Materials Data on Sr5(B5Rh7)2 by Materials Project

Abstract

Sr5(Rh7B5)2 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to one Sr, ten Rh, and eight equivalent B atoms. The Sr–Sr bond length is 3.11 Å. There are a spread of Sr–Rh bond distances ranging from 3.07–3.35 Å. There are a spread of Sr–B bond distances ranging from 3.02–3.34 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to two Sr, twelve Rh, and six equivalent B atoms. The Sr–Sr bond length is 3.04 Å. There are a spread of Sr–Rh bond distances ranging from 3.16–3.26 Å. There are four shorter (3.27 Å) and two longer (3.34 Å) Sr–B bond lengths. In the third Sr site, Sr is bonded in a 12-coordinate geometry to two Sr, twelve Rh, and six equivalent B atoms. The Sr–Sr bond length is 3.04 Å. There are four shorter (3.19 Å) and eight longer (3.22 Å) Sr–Rh bond lengths. There are four shorter (3.28 Å) and two longer (3.33 Å) Sr–B bond lengths. In the fourth Sr site, Sr is bonded in a 12-coordinate geometry to two Sr, twelve Rh, and six equivalent B atoms. The Sr–Sr bond length is 3.11 Å. There are a spread of Sr–Rh bond distances ranging from 3.16–3.26 Å. There are four shorter (3.27 Å) and two longer (3.34 Å) Sr–B bond lengths. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four Sr and four B atoms. There are two shorter (2.20 Å) and two longer (2.21 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to four Sr and four B atoms. There are two shorter (2.18 Å) and two longer (2.23 Å) Rh–B bond lengths. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to four Sr and four B atoms. All Rh–B bond lengths are 2.21 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent B atoms. All Rh–B bond lengths are 2.16 Å. In the fifth Rh site, Rh is bonded in a 4-coordinate geometry to four Sr and four B atoms. All Rh–B bond lengths are 2.20 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Sr and six Rh atoms. There are two shorter (3.28 Å) and one longer (3.33 Å) B–Sr bond lengths. Both B–Rh bond lengths are 2.21 Å. In the second B site, B is bonded in a 5-coordinate geometry to four equivalent Sr and five Rh atoms. In the third B site, B is bonded in a 6-coordinate geometry to three equivalent Sr and six Rh atoms. In the fourth B site, B is bonded in a 6-coordinate geometry to three equivalent Sr and six Rh atoms. All B–Rh bond lengths are 2.21 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to three equivalent Sr and six Rh atoms. There are two shorter (3.28 Å) and one longer (3.33 Å) B–Sr bond lengths. Both B–Rh bond lengths are 2.21 Å.