Materials Data on K5Se3 by Materials Project
K5Se3 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se+1.67- atoms. There are a spread of K–Se bond distances ranging from 3.42–3.64 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se+1.67- atoms. There are a spread of K–Se bond distances ranging from 3.37–3.60 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent Se+1.67- atoms. All K–Se bond lengths are 3.23 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a 10-coordinate geometry to ten K1+ atoms. In the second Se+1.67- site, Se+1.67- is bonded in a 9-coordinate geometry to eight K1+ and one Se+1.67- atom. The Se–Se bond length is 2.44 Å.
- 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:
- 1290113
- Report Number(s):
- mp-755633
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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