U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgTi2 by Materials Project
Abstract
MgTi2 is beta-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten equivalent Ti atoms to form MgMg2Ti10 cuboctahedra that share corners with six equivalent MgMg2Ti10 cuboctahedra, corners with twelve equivalent TiMg5Ti7 cuboctahedra, edges with eight equivalent TiMg5Ti7 cuboctahedra, edges with ten equivalent MgMg2Ti10 cuboctahedra, faces with four equivalent MgMg2Ti10 cuboctahedra, and faces with sixteen equivalent TiMg5Ti7 cuboctahedra. Both Mg–Mg bond lengths are 2.89 Å. There are a spread of Mg–Ti bond distances ranging from 2.94–3.04 Å. Ti is bonded to five equivalent Mg and seven equivalent Ti atoms to form distorted TiMg5Ti7 cuboctahedra that share corners with six equivalent MgMg2Ti10 cuboctahedra, corners with twelve equivalent TiMg5Ti7 cuboctahedra, edges with four equivalent MgMg2Ti10 cuboctahedra, edges with fourteen equivalent TiMg5Ti7 cuboctahedra, faces with eight equivalent MgMg2Ti10 cuboctahedra, and faces with twelve equivalent TiMg5Ti7 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.87–3.05 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1094381
- 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; MgTi2; Mg-Ti
- OSTI Identifier:
- 1652040
- DOI:
- https://doi.org/10.17188/1652040
Citation Formats
The Materials Project. Materials Data on MgTi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652040.
The Materials Project. Materials Data on MgTi2 by Materials Project. United States. doi:https://doi.org/10.17188/1652040
The Materials Project. 2020.
"Materials Data on MgTi2 by Materials Project". United States. doi:https://doi.org/10.17188/1652040. https://www.osti.gov/servlets/purl/1652040. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1652040,
title = {Materials Data on MgTi2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgTi2 is beta-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten equivalent Ti atoms to form MgMg2Ti10 cuboctahedra that share corners with six equivalent MgMg2Ti10 cuboctahedra, corners with twelve equivalent TiMg5Ti7 cuboctahedra, edges with eight equivalent TiMg5Ti7 cuboctahedra, edges with ten equivalent MgMg2Ti10 cuboctahedra, faces with four equivalent MgMg2Ti10 cuboctahedra, and faces with sixteen equivalent TiMg5Ti7 cuboctahedra. Both Mg–Mg bond lengths are 2.89 Å. There are a spread of Mg–Ti bond distances ranging from 2.94–3.04 Å. Ti is bonded to five equivalent Mg and seven equivalent Ti atoms to form distorted TiMg5Ti7 cuboctahedra that share corners with six equivalent MgMg2Ti10 cuboctahedra, corners with twelve equivalent TiMg5Ti7 cuboctahedra, edges with four equivalent MgMg2Ti10 cuboctahedra, edges with fourteen equivalent TiMg5Ti7 cuboctahedra, faces with eight equivalent MgMg2Ti10 cuboctahedra, and faces with twelve equivalent TiMg5Ti7 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.87–3.05 Å.},
doi = {10.17188/1652040},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}