Materials Data on EuSn3Sb4 by Materials Project

Abstract

EuSn3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are a spread of Eu–Sb bond distances ranging from 3.32–3.65 Å. There are three inequivalent Sn+3.33+ sites. In the first Sn+3.33+ site, Sn+3.33+ is bonded in a distorted T-shaped geometry to three Sb3- atoms. There are two shorter (2.98 Å) and one longer (2.99 Å) Sn–Sb bond lengths. In the second Sn+3.33+ site, Sn+3.33+ is bonded in a distorted T-shaped geometry to three Sb3- atoms. There are two shorter (2.98 Å) and one longer (2.99 Å) Sn–Sb bond lengths. In the third Sn+3.33+ site, Sn+3.33+ is bonded to four Sb3- atoms to form corner-sharing SnSb4 tetrahedra. There are a spread of Sn–Sb bond distances ranging from 2.85–2.88 Å. There are four inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to two equivalent Eu2+ and three Sn+3.33+ atoms to form distorted SbEu2Sn3 trigonal bipyramids that share corners with three equivalent SbEu2Sn3 trigonal bipyramids, corners with two equivalent SbEuSn3 trigonal pyramids, edges with three SbEu2Sn3 trigonal bipyramids, and edges with two equivalent SbEuSn3 trigonal pyramids. In the second Sb3- site, Sb3- is bonded to two equivalent Eu2+ and three Sn+3.33+ atoms to form distorted SbEu2Sn3 trigonal bipyramids that share corners with three equivalent SbEu2Sn3 trigonal bipyramids, corners with four equivalent SbEuSn3 trigonal pyramids, and edges with three SbEu2Sn3 trigonal bipyramids. In the third Sb3- site, Sb3- is bonded to one Eu2+ and three Sn+3.33+ atoms to form SbEuSn3 trigonal pyramids that share corners with six SbEu2Sn3 trigonal bipyramids, corners with two equivalent SbEuSn3 trigonal pyramids, and edges with two equivalent SbEu2Sn3 trigonal bipyramids. In the fourth Sb3- site, Sb3- is bonded in a 6-coordinate geometry to three equivalent Eu2+, one Sn+3.33+, and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 2.97 Å.