U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnCu3 by Materials Project
Abstract
Cu3Mn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Cu atoms to form MnCu12 cuboctahedra that share corners with six equivalent MnCu12 cuboctahedra, corners with twelve equivalent CuMn4Cu8 cuboctahedra, edges with eighteen equivalent CuMn4Cu8 cuboctahedra, faces with eight equivalent MnCu12 cuboctahedra, and faces with twelve equivalent CuMn4Cu8 cuboctahedra. All Mn–Cu bond lengths are 2.60 Å. Cu is bonded to four equivalent Mn and eight equivalent Cu atoms to form CuMn4Cu8 cuboctahedra that share corners with four equivalent MnCu12 cuboctahedra, corners with fourteen equivalent CuMn4Cu8 cuboctahedra, edges with six equivalent MnCu12 cuboctahedra, edges with twelve equivalent CuMn4Cu8 cuboctahedra, faces with four equivalent MnCu12 cuboctahedra, and faces with sixteen equivalent CuMn4Cu8 cuboctahedra. There are six shorter (2.59 Å) and two longer (2.61 Å) Cu–Cu bond lengths.
- Publication Date:
- Other Number(s):
- mp-974747
- 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; Cu-Mn; MnCu3; crystal structure
- OSTI Identifier:
- 1314631
- DOI:
- https://doi.org/10.17188/1314631
Citation Formats
Materials Data on MnCu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314631.
Materials Data on MnCu3 by Materials Project. United States. doi:https://doi.org/10.17188/1314631
2020.
"Materials Data on MnCu3 by Materials Project". United States. doi:https://doi.org/10.17188/1314631. https://www.osti.gov/servlets/purl/1314631. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1314631,
title = {Materials Data on MnCu3 by Materials Project},
abstractNote = {Cu3Mn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Cu atoms to form MnCu12 cuboctahedra that share corners with six equivalent MnCu12 cuboctahedra, corners with twelve equivalent CuMn4Cu8 cuboctahedra, edges with eighteen equivalent CuMn4Cu8 cuboctahedra, faces with eight equivalent MnCu12 cuboctahedra, and faces with twelve equivalent CuMn4Cu8 cuboctahedra. All Mn–Cu bond lengths are 2.60 Å. Cu is bonded to four equivalent Mn and eight equivalent Cu atoms to form CuMn4Cu8 cuboctahedra that share corners with four equivalent MnCu12 cuboctahedra, corners with fourteen equivalent CuMn4Cu8 cuboctahedra, edges with six equivalent MnCu12 cuboctahedra, edges with twelve equivalent CuMn4Cu8 cuboctahedra, faces with four equivalent MnCu12 cuboctahedra, and faces with sixteen equivalent CuMn4Cu8 cuboctahedra. There are six shorter (2.59 Å) and two longer (2.61 Å) Cu–Cu bond lengths.},
doi = {10.17188/1314631},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}