Materials Data on Na2SbAs by Materials Project
Na2SbAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to three equivalent Sb1- and three equivalent As1- atoms. There are a spread of Na–Sb bond distances ranging from 3.19–3.23 Å. There are a spread of Na–As bond distances ranging from 3.23–3.31 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to three equivalent Sb1- and three equivalent As1- atoms. There are one shorter (3.25 Å) and two longer (3.26 Å) Na–Sb bond lengths. There are a spread of Na–As bond distances ranging from 3.17–3.31 Å. Sb1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent As1- atoms. There are one shorter (2.68 Å) and one longer (2.71 Å) Sb–As bond lengths. As1- is bonded to six Na1+ and two equivalent Sb1- atoms to form a mixture of distorted edge and corner-sharing AsNa6Sb2 hexagonal bipyramids.
- 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:
- 1676933
- Report Number(s):
- mp-1221319
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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