Materials Data on Ho11Sn10 by Materials Project

Abstract

Ho11Sn10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded to seven Sn atoms to form a mixture of distorted edge, face, and corner-sharing HoSn7 pentagonal bipyramids. There are a spread of Ho–Sn bond distances ranging from 3.06–3.45 Å. In the second Ho site, Ho is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Ho–Sn bond distances ranging from 2.93–3.57 Å. In the third Ho site, Ho is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.40–3.80 Å. In the fourth Ho site, Ho is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.06–3.27 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Ho atoms. In the third Sn site, Sn is bonded in a 11-coordinate geometry to seven Ho and four Sn atoms. There are two shorter (3.00 Å) and two longer (3.25 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to eight Ho atoms. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to eight Ho and two Sn atoms. The Sn–Sn bond length is 2.90 Å.