Materials Data on Mg2Sc by Materials Project
Abstract
Mg2Sc is Magnesium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent Sc atoms to form MgMg7Sc5 cuboctahedra that share corners with six equivalent ScMg9Sc3 cuboctahedra, corners with twelve MgMg8Sc4 cuboctahedra, edges with five equivalent ScMg9Sc3 cuboctahedra, edges with thirteen MgMg7Sc5 cuboctahedra, faces with eight equivalent ScMg9Sc3 cuboctahedra, and faces with twelve MgMg8Sc4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.21 Å. There are a spread of Mg–Sc bond distances ranging from 3.22–3.29 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sc atoms to form MgMg8Sc4 cuboctahedra that share corners with six equivalent ScMg9Sc3 cuboctahedra, corners with twelve MgMg7Sc5 cuboctahedra, edges with nine MgMg7Sc5 cuboctahedra, edges with nine equivalent ScMg9Sc3 cuboctahedra, faces with six equivalent ScMg9Sc3 cuboctahedra, and faces with fourteen MgMg7Sc5 cuboctahedra. There are four shorter (3.21 Å) and one longer (3.32 Å) Mg–Mg bond lengths. There are two shorter (3.20 Å) and two longer (3.21 Å) Mg–Sc bond lengths. Sc is bonded to nine Mg and three equivalent Sc atoms to form ScMg9Sc3more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1185779
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Mg2Sc; Mg-Sc
- OSTI Identifier:
- 1667021
- DOI:
- https://doi.org/10.17188/1667021
Citation Formats
The Materials Project. Materials Data on Mg2Sc by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1667021.
The Materials Project. Materials Data on Mg2Sc by Materials Project. United States. doi:https://doi.org/10.17188/1667021
The Materials Project. 2020.
"Materials Data on Mg2Sc by Materials Project". United States. doi:https://doi.org/10.17188/1667021. https://www.osti.gov/servlets/purl/1667021. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1667021,
title = {Materials Data on Mg2Sc by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Sc is Magnesium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent Sc atoms to form MgMg7Sc5 cuboctahedra that share corners with six equivalent ScMg9Sc3 cuboctahedra, corners with twelve MgMg8Sc4 cuboctahedra, edges with five equivalent ScMg9Sc3 cuboctahedra, edges with thirteen MgMg7Sc5 cuboctahedra, faces with eight equivalent ScMg9Sc3 cuboctahedra, and faces with twelve MgMg8Sc4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.21 Å. There are a spread of Mg–Sc bond distances ranging from 3.22–3.29 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sc atoms to form MgMg8Sc4 cuboctahedra that share corners with six equivalent ScMg9Sc3 cuboctahedra, corners with twelve MgMg7Sc5 cuboctahedra, edges with nine MgMg7Sc5 cuboctahedra, edges with nine equivalent ScMg9Sc3 cuboctahedra, faces with six equivalent ScMg9Sc3 cuboctahedra, and faces with fourteen MgMg7Sc5 cuboctahedra. There are four shorter (3.21 Å) and one longer (3.32 Å) Mg–Mg bond lengths. There are two shorter (3.20 Å) and two longer (3.21 Å) Mg–Sc bond lengths. Sc is bonded to nine Mg and three equivalent Sc atoms to form ScMg9Sc3 cuboctahedra that share corners with six equivalent ScMg9Sc3 cuboctahedra, corners with twelve MgMg7Sc5 cuboctahedra, edges with four equivalent ScMg9Sc3 cuboctahedra, edges with fourteen MgMg7Sc5 cuboctahedra, faces with six equivalent ScMg9Sc3 cuboctahedra, and faces with fourteen MgMg7Sc5 cuboctahedra. There are one shorter (3.14 Å) and two longer (3.21 Å) Sc–Sc bond lengths.},
doi = {10.17188/1667021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}