Materials Data on Ho5Ge4 by Materials Project

Abstract

Ho5Ge4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are six inequivalent Ho sites. In the first Ho site, Ho is bonded to six Ge atoms to form corner-sharing HoGe6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Ho–Ge bond distances ranging from 2.95–3.08 Å. In the second Ho site, Ho is bonded to six Ge atoms to form corner-sharing HoGe6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Ho–Ge bond distances ranging from 2.95–3.12 Å. In the third Ho site, Ho is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.97–3.66 Å. In the fourth Ho site, Ho is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.96–3.65 Å. In the fifth Ho site, Ho is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.87–3.05 Å. In the sixth Ho site, Ho is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.87–3.05 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to eight Ho atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ho and one Ge atom. The Ge–Ge bond length is 2.74 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Ho and one Ge atom. The Ge–Ge bond length is 2.77 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to eight Ho and one Ge atom. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to eight Ho and one Ge atom. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to eight Ho atoms.