Materials Data on Nb2C by Materials Project
Nb2C is beta Vanadium nitride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded in a distorted T-shaped geometry to three equivalent C4- atoms. There are two shorter (2.19 Å) and one longer (2.25 Å) Nb–C bond lengths. In the second Nb2+ site, Nb2+ is bonded in a distorted T-shaped geometry to three equivalent C4- atoms. There are two shorter (2.19 Å) and one longer (2.22 Å) Nb–C bond lengths. C4- is bonded to six Nb2+ atoms to form a mixture of corner and edge-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 50°.
- 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:
- 1275403
- Report Number(s):
- mp-569989
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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