Materials Data on Mg3In by Materials Project
Mg3In is Uranium Silicide-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four In atoms to form distorted MgMg8In4 cuboctahedra that share corners with two equivalent InMg12 cuboctahedra, corners with thirteen MgMg8In4 cuboctahedra, edges with seven InMg12 cuboctahedra, edges with fourteen MgMg8In4 cuboctahedra, faces with four InMg12 cuboctahedra, and faces with fifteen MgMg8In4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.21 Å. There are a spread of Mg–In bond distances ranging from 3.15–3.21 Å. In the second Mg site, Mg is bonded to eight Mg and four In atoms to form distorted MgMg8In4 cuboctahedra that share corners with two equivalent InMg12 cuboctahedra, corners with thirteen MgMg8In4 cuboctahedra, edges with seven InMg12 cuboctahedra, edges with fourteen MgMg8In4 cuboctahedra, faces with four InMg12 cuboctahedra, and faces with fifteen MgMg8In4 cuboctahedra. There are four shorter (3.15 Å) and two longer (3.22 Å) Mg–Mg bond lengths. There are a spread of Mg–In bond distances ranging from 3.15–3.22 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent MgMg8In4 cuboctahedra, corners with nine InMg12 cuboctahedra, edges with twenty-one MgMg8In4 cuboctahedra, faces with seven InMg12 cuboctahedra, and faces with twelve MgMg8In4 cuboctahedra. In the second In site, In is bonded to twelve Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent MgMg8In4 cuboctahedra, corners with nine InMg12 cuboctahedra, edges with twenty-one MgMg8In4 cuboctahedra, faces with seven InMg12 cuboctahedra, and faces with twelve MgMg8In4 cuboctahedra.
- 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:
- 1285130
- Report Number(s):
- mp-697180
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Mg3In by Materials Project
Materials Data on Mg3In by Materials Project