U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnCuAs by Materials Project
Abstract
CuMnAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent As3- atoms to form distorted MnAs5 trigonal bipyramids that share corners with eight equivalent CuAs4 tetrahedra, corners with eight equivalent MnAs5 trigonal bipyramids, edges with six equivalent CuAs4 tetrahedra, and edges with six equivalent MnAs5 trigonal bipyramids. There are a spread of Mn–As bond distances ranging from 2.60–2.72 Å. Cu1+ is bonded to four equivalent As3- atoms to form distorted CuAs4 tetrahedra that share corners with eight equivalent CuAs4 tetrahedra, corners with eight equivalent MnAs5 trigonal bipyramids, edges with two equivalent CuAs4 tetrahedra, and edges with six equivalent MnAs5 trigonal bipyramids. There are a spread of Cu–As bond distances ranging from 2.41–2.50 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Cu1+ atoms.
- Publication Date:
- Other Number(s):
- mp-20107
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Cu-Mn; crystal structure; MnCuAs
- OSTI Identifier:
- 1195254
- DOI:
- https://doi.org/10.17188/1195254
Citation Formats
Materials Data on MnCuAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195254.
Materials Data on MnCuAs by Materials Project. United States. doi:https://doi.org/10.17188/1195254
2020.
"Materials Data on MnCuAs by Materials Project". United States. doi:https://doi.org/10.17188/1195254. https://www.osti.gov/servlets/purl/1195254. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1195254,
title = {Materials Data on MnCuAs by Materials Project},
abstractNote = {CuMnAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent As3- atoms to form distorted MnAs5 trigonal bipyramids that share corners with eight equivalent CuAs4 tetrahedra, corners with eight equivalent MnAs5 trigonal bipyramids, edges with six equivalent CuAs4 tetrahedra, and edges with six equivalent MnAs5 trigonal bipyramids. There are a spread of Mn–As bond distances ranging from 2.60–2.72 Å. Cu1+ is bonded to four equivalent As3- atoms to form distorted CuAs4 tetrahedra that share corners with eight equivalent CuAs4 tetrahedra, corners with eight equivalent MnAs5 trigonal bipyramids, edges with two equivalent CuAs4 tetrahedra, and edges with six equivalent MnAs5 trigonal bipyramids. There are a spread of Cu–As bond distances ranging from 2.41–2.50 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1195254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}