Materials Data on La(YC3)2 by Materials Project

Abstract

La(YC3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.62–2.87 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 2.43–2.76 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 three equivalent La3+, two 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 2-coordinate geometry to five equivalent Y3+ 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 2-coordinate geometry to two equivalent La3+, three equivalent Y3+, and one C+1.50- atom.