Materials Data on Na2B2Se7 by Materials Project
Na2B2Se7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six Se+1.14- atoms. There are a spread of Na–Se bond distances ranging from 3.07–3.42 Å. B3+ is bonded to four Se+1.14- atoms to form corner-sharing BSe4 tetrahedra. There are a spread of B–Se bond distances ranging from 2.05–2.07 Å. There are four inequivalent Se+1.14- sites. In the first Se+1.14- site, Se+1.14- is bonded in a water-like geometry to two equivalent B3+ atoms. In the second Se+1.14- site, Se+1.14- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one B3+ atom. In the third Se+1.14- site, Se+1.14- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one B3+ atom. In the fourth Se+1.14- site, Se+1.14- is bonded in a distorted single-bond geometry to two equivalent Na1+ and one B3+ 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:
- 1208557
- Report Number(s):
- mp-5004
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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