Materials Data on NdVSb3 by Materials Project
NdVSb3 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 10-coordinate geometry to ten Sb+2.67- atoms. There are a spread of Nd–Sb bond distances ranging from 3.16–3.62 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to five Sb+2.67- atoms to form a mixture of distorted edge and corner-sharing VSb5 trigonal bipyramids. There are a spread of V–Sb bond distances ranging from 2.71–2.78 Å. In the second V5+ site, V5+ is bonded to five Sb+2.67- atoms to form a mixture of distorted edge and corner-sharing VSb5 trigonal bipyramids. There are a spread of V–Sb bond distances ranging from 2.71–2.78 Å. There are four inequivalent Sb+2.67- sites. In the first Sb+2.67- site, Sb+2.67- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one V5+ atom. In the second Sb+2.67- site, Sb+2.67- is bonded in a 1-coordinate geometry to four equivalent Nd3+ atoms. In the third Sb+2.67- site, Sb+2.67- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four V5+ atoms. In the fourth Sb+2.67- site, Sb+2.67- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one V5+ atom.
- 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:
- 1282436
- Report Number(s):
- mp-673854
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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