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DOE OSTI2020

Materials Data on LaNdC4 by Materials Project

NdLaC4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Nd–C bond distances ranging from 2.60–2.82 Å. La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.64 Å) and eight longer (2.85 Å) La–C bond lengths. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to three equivalent Nd3+, two 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 two equivalent Nd3+, three equivalent La3+, and one C+1.50- atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LaNdC4 by Materials Project

NdLaC4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.61 Å) and eight longer (2.83 Å) Nd–C bond lengths. La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.61 Å) and eight longer (2.83 Å) La–C bond lengths. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to one Nd3+, 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 four equivalent Nd3+, one La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.

36 MATERIALS SCIENCE↗