Materials Data on HoSn3 by Materials Project

Abstract

HoSn3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Sn atoms to form HoSn12 cuboctahedra that share corners with four equivalent HoSn12 cuboctahedra, corners with two equivalent SnHo4Sn square pyramids, and faces with four equivalent HoSn12 cuboctahedra. There are a spread of Ho–Sn bond distances ranging from 3.13–3.44 Å. In the second 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 3.15–3.36 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Ho and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.13 Å. In the second Sn site, Sn is bonded to four equivalent Ho and one Sn atom to form distorted SnHo4Sn square pyramids that share corners with two equivalent HoSn12 cuboctahedra, corners with four equivalent SnHo4Sn square pyramids, and edges with four equivalent SnHo4Sn square pyramids. The Sn–Sn bond length is 3.01 Å. In the third Sn site, Sn is bonded in a 9-coordinate geometry to two equivalent Ho and seven Sn atoms. There are four shorter (3.13 Å) and two longer (3.32 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a rectangular see-saw-like geometry to four equivalent Ho and four Sn atoms. Both Sn–Sn bond lengths are 3.33 Å. In the fifth Sn site, Sn is bonded in a 1-coordinate geometry to three Ho and six Sn atoms. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to four Ho and four equivalent Sn atoms.