Materials Data on NdNi2B2C by Materials Project
NdNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd2+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Nd–C bond lengths are 2.61 Å. Ni1+ is bonded to four equivalent B atoms to form NiB4 tetrahedra that share corners with four equivalent CNd4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. All Ni–B bond lengths are 2.10 Å. B is bonded in a distorted single-bond geometry to four equivalent Ni1+ and one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded to four equivalent Nd2+ and two equivalent B atoms to form distorted CNd4B2 octahedra that share corners with four equivalent CNd4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CNd4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1277671
- Report Number(s):
- mp-6102
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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