Materials Data on La(Ho2C5)2 by Materials Project

Abstract

La(Ho2C5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 10-coordinate geometry to ten C+1.50- atoms. There are a spread of Ho–C bond distances ranging from 2.46–2.75 Å. In the second Ho3+ site, Ho3+ is bonded in a 10-coordinate geometry to ten C+1.50- atoms. There are a spread of Ho–C bond distances ranging from 2.40–2.72 Å. La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.59–2.83 Å. There are five inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded to three Ho3+, two equivalent La3+, and one C+1.50- atom to form a mixture of distorted corner and edge-sharing CLa2Ho3C octahedra. The corner-sharing octahedra tilt angles range from 0–81°. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to five Ho3+ and one C+1.50- atom. The C–C bond length is 1.30 Å. In the third C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to five Ho3+ and one C+1.50- atom. In the fourth C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to four Ho3+, one La3+, and one C+1.50- atom. In the fifth C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to three equivalent Ho3+, two equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.31 Å.