Materials Data on Ho2Sb5 by Materials Project
Ho2Sb5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are four inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to nine Sb+1.20- atoms. There are a spread of Ho–Sb bond distances ranging from 3.09–3.35 Å. In the second Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to nine Sb+1.20- atoms. There are a spread of Ho–Sb bond distances ranging from 3.12–3.31 Å. In the third Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to nine Sb+1.20- atoms. There are a spread of Ho–Sb bond distances ranging from 3.17–3.31 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to ten Sb+1.20- atoms. There are a spread of Ho–Sb bond distances ranging from 3.18–3.91 Å. There are ten inequivalent Sb+1.20- sites. In the first Sb+1.20- site, Sb+1.20- is bonded in a 7-coordinate geometry to three Ho3+ and four Sb+1.20- atoms. There are two shorter (3.01 Å) and two longer (3.15 Å) Sb–Sb bond lengths. In the second Sb+1.20- site, Sb+1.20- is bonded in a 7-coordinate geometry to five Ho3+ and two equivalent Sb+1.20- atoms. Both Sb–Sb bond lengths are 3.16 Å. In the third Sb+1.20- site, Sb+1.20- is bonded in a 6-coordinate geometry to three Ho3+ and three Sb+1.20- atoms. There are one shorter (2.89 Å) and two longer (3.03 Å) Sb–Sb bond lengths. In the fourth Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Ho3+ and four Sb+1.20- atoms. There are two shorter (2.94 Å) and two longer (3.18 Å) Sb–Sb bond lengths. In the fifth Sb+1.20- site, Sb+1.20- is bonded in a 7-coordinate geometry to one Ho3+ and six Sb+1.20- atoms. There are two shorter (3.38 Å) and one longer (3.39 Å) Sb–Sb bond lengths. In the sixth Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Ho3+ and four Sb+1.20- atoms. In the seventh Sb+1.20- site, Sb+1.20- is bonded in a 6-coordinate geometry to three Ho3+ and three Sb+1.20- atoms. In the eighth Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Ho3+ and four Sb+1.20- atoms. Both Sb–Sb bond lengths are 3.00 Å. In the ninth Sb+1.20- site, Sb+1.20- is bonded to six Ho3+ atoms to form distorted face-sharing SbHo6 pentagonal pyramids. In the tenth Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Ho3+ and four Sb+1.20- atoms. Both Sb–Sb bond lengths are 3.05 Å.