Materials Data on K(Nb3Se4)2 by Materials Project
K(Nb3Se4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. All K–Se bond lengths are 3.34 Å. Nb+2.50+ is bonded to six Se2- atoms to form a mixture of distorted edge, corner, and face-sharing NbSe6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Nb–Se bond distances ranging from 2.61–2.85 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six equivalent Nb+2.50+ atoms to form distorted face-sharing SeNb6 pentagonal pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one K1+ and four equivalent Nb+2.50+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1730846
- Report Number(s):
- mp-1223754
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Nb6TlSe8 by Materials Project
Materials Data on Nb6InSe8 by Materials Project
Materials Data on Nb12ZnSe16 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1655381
Materials Data on Nb6InSe8 by Materials Project
Dataset
·
Fri May 01 00:00:00 EDT 2020
·
OSTI ID:1720079
Materials Data on Nb12ZnSe16 by Materials Project
Dataset
·
Fri May 01 00:00:00 EDT 2020
·
OSTI ID:1721265