Materials Data on Yb11Sb10 by Materials Project

Abstract

Yb11Sb10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Yb+2.73+ sites. In the first Yb+2.73+ site, Yb+2.73+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Yb–Sb bond distances ranging from 3.19–3.45 Å. In the second Yb+2.73+ site, Yb+2.73+ is bonded to seven Sb3- atoms to form a mixture of distorted edge, face, and corner-sharing YbSb7 pentagonal bipyramids. There are a spread of Yb–Sb bond distances ranging from 3.16–3.55 Å. In the third Yb+2.73+ site, Yb+2.73+ is bonded to seven Sb3- atoms to form a mixture of distorted edge, face, and corner-sharing YbSb7 pentagonal bipyramids. There are a spread of Yb–Sb bond distances ranging from 2.97–3.73 Å. In the fourth Yb+2.73+ site, Yb+2.73+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of Yb–Sb bond distances ranging from 3.51–3.61 Å. There are five inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 10-coordinate geometry to eight Yb+2.73+ and two Sb3- atoms. There are one shorter (2.94 Å) and one longer (3.34 Å) Sb–Sb bond lengths. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to eight Yb+2.73+ atoms. In the third Sb3- site, Sb3- is bonded in a 11-coordinate geometry to seven Yb+2.73+ and four Sb3- atoms. Both Sb–Sb bond lengths are 3.03 Å. In the fourth Sb3- site, Sb3- is bonded in a 9-coordinate geometry to nine Yb+2.73+ atoms. In the fifth Sb3- site, Sb3- is bonded in a 8-coordinate geometry to eight Yb+2.73+ atoms.