Materials Data on Tb11Sn10 by Materials Project

Abstract

Sn10Tb11 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded to seven Sn atoms to form a mixture of distorted edge, corner, and face-sharing TbSn7 pentagonal bipyramids. There are a spread of Tb–Sn bond distances ranging from 3.09–3.47 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Tb–Sn bond distances ranging from 2.95–3.61 Å. In the third Tb site, Tb is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Tb–Sn bond distances ranging from 3.43–3.87 Å. In the fourth Tb site, Tb is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Tb–Sn bond distances ranging from 3.09–3.29 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Tb atoms. In the third Sn site, Sn is bonded in a 11-coordinate geometry to seven Tb and four Sn atoms. There are two shorter (3.03 Å) and two longer (3.29 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to eight Tb atoms. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to eight Tb and two Sn atoms. The Sn–Sn bond length is 2.92 Å.