Materials Data on Mg3MnH7 by Materials Project
Mg3MnH7 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six equivalent H atoms. All Mg–H bond lengths are 2.08 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to ten H atoms. There are a spread of Mg–H bond distances ranging from 1.89–2.35 Å. Mn is bonded in an octahedral geometry to six equivalent H atoms. All Mn–H bond lengths are 1.63 Å. There are two inequivalent H sites. In the first H site, H is bonded in a 5-coordinate geometry to four Mg and one Mn atom. In the second H site, H is bonded in a linear geometry to two equivalent 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:
- 1280327
- Report Number(s):
- mp-643573
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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