Materials Data on K2Se5 by Materials Project
K2Se5 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se+0.40- atoms. There are a spread of K–Se bond distances ranging from 3.41–3.75 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se+0.40- atoms. There are a spread of K–Se bond distances ranging from 3.37–3.65 Å. There are five inequivalent Se+0.40- sites. In the first Se+0.40- site, Se+0.40- is bonded in a 4-coordinate geometry to one K1+ and three Se+0.40- atoms. There are a spread of Se–Se bond distances ranging from 2.40–3.10 Å. In the second Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to three K1+ and two Se+0.40- atoms. The Se–Se bond length is 2.42 Å. In the third Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to four K1+ and two Se+0.40- atoms. In the fourth Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to three K1+ and two Se+0.40- atoms. The Se–Se bond length is 2.36 Å. In the fifth Se+0.40- site, Se+0.40- is bonded in a 6-coordinate geometry to five K1+ and one Se+0.40- 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:
- 1193267
- Report Number(s):
- mp-18609
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on K2Ba3Sb4 by Materials Project
Materials Data on Sr21Hg109 by Materials Project