Materials Data on La4HoC10 by Materials Project

Abstract

HoLa4C10 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ho3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Ho–C bond distances ranging from 2.60–2.85 Å. There are two inequivalent La3+ sites. In the first La3+ site, 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 2.60–2.86 Å. In the second La3+ site, 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 2.60–2.92 Å. There are three inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to one Ho3+, four La3+, and one C+1.50- atom. 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 La3+ 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 three equivalent Ho3+, two equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.