Materials Data on Mg9Sn5 by Materials Project
Mg9Sn5 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.90–3.04 Å. In the second Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.89–2.99 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.00–3.18 Å. In the fourth Mg site, Mg is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.00–3.18 Å. In the fifth Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.88–2.98 Å. In the sixth Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.90–3.06 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to nine Mg atoms. In the sixth Sn site, Sn is bonded in a 9-coordinate geometry to nine Mg atoms.
- 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:
- 1205712
- Report Number(s):
- mp-31503
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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