Materials Data on La3DyC8 by Materials Project

Abstract

DyLa3C8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a 10-coordinate geometry to ten C+1.50- atoms. There are two shorter (2.51 Å) and eight longer (2.83 Å) Dy–C bond lengths. 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 2.59–2.85 Å. In the second La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.66 Å) and eight longer (2.83 Å) La–C bond lengths. There are four inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to one Dy3+, four equivalent 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 to five La3+ and one C+1.50- atom to form a mixture of distorted corner and edge-sharing CLa5C octahedra. The corner-sharing octahedra tilt angles range from 0–24°. In the fourth C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to four equivalent Dy3+, one La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.