Materials Data on La4YC10 by Materials Project

Abstract

La4YC10 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. 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 2.61–2.86 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 2.61–2.91 Å. Y3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Y–C bond distances ranging from 2.60–2.86 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 four La3+, one 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 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 two equivalent La3+, three equivalent Y3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.