Materials Data on La2YC6 by Materials Project

Abstract

La2YC6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. 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 2.60–2.88 Å. Y3+ is bonded in a 10-coordinate geometry to ten C+1.50- atoms. There are a spread of Y–C bond distances ranging from 2.47–2.77 Å. There are three inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a distorted linear geometry to two equivalent La3+, three equivalent Y3+, 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 equivalent 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 La3+, two equivalent Y3+, and one C+1.50- atom.