Materials Data on Eu5Cd2Sb5O by Materials Project

Abstract

Eu5Cd2Sb5O crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are four inequivalent Eu+2.60+ sites. In the first Eu+2.60+ site, Eu+2.60+ is bonded in a distorted single-bond geometry to five Sb3- and one O2- atom. There are a spread of Eu–Sb bond distances ranging from 3.25–3.58 Å. The Eu–O bond length is 2.30 Å. In the second Eu+2.60+ site, Eu+2.60+ is bonded in a distorted bent 120 degrees geometry to six Sb3- and two equivalent O2- atoms. There are two shorter (3.50 Å) and four longer (3.68 Å) Eu–Sb bond lengths. Both Eu–O bond lengths are 2.61 Å. In the third Eu+2.60+ site, Eu+2.60+ is bonded in a distorted hexagonal planar geometry to six Sb3- atoms. There are two shorter (3.39 Å) and four longer (3.44 Å) Eu–Sb bond lengths. In the fourth Eu+2.60+ site, Eu+2.60+ is bonded to six Sb3- atoms to form EuSb6 octahedra that share edges with two equivalent EuSb6 octahedra and edges with four equivalent CdSb4 tetrahedra. There are four shorter (3.25 Å) and two longer (3.32 Å) Eu–Sb bond lengths. Cd2+ is bonded to four Sb3- atoms to form CdSb4 tetrahedra that share corners with three equivalent CdSb4 tetrahedra and edges with two equivalent EuSb6 octahedra. There are a spread of Cd–Sb bond distances ranging from 2.88–2.99 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six Eu+2.60+, one Cd2+, and one Sb3- atom. The Sb–Sb bond length is 2.93 Å. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six Eu+2.60+ and two equivalent Cd2+ atoms. In the third Sb3- site, Sb3- is bonded in a 7-coordinate geometry to five Eu+2.60+ and two equivalent Cd2+ atoms. O2- is bonded to four Eu+2.60+ atoms to form corner-sharing OEu4 tetrahedra.