U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn4Ga3Cu2 by Materials Project
Abstract
Mn4Cu2Ga3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded to six Mn and five Ga atoms to form a mixture of distorted face and corner-sharing MnMn6Ga5 trigonal bipyramids. All Mn–Mn bond lengths are 2.75 Å. There are a spread of Mn–Ga bond distances ranging from 2.42–2.66 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two Mn, six Cu, and six Ga atoms. There are one shorter (2.64 Å) and one longer (2.70 Å) Mn–Mn bond lengths. There are three shorter (2.76 Å) and three longer (2.78 Å) Mn–Cu bond lengths. There are three shorter (2.76 Å) and three longer (2.78 Å) Mn–Ga bond lengths. In the third Mn site, Mn is bonded in a 9-coordinate geometry to five Mn, three equivalent Cu, and six Ga atoms. The Mn–Mn bond length is 2.58 Å. All Mn–Cu bond lengths are 2.77 Å. There are three shorter (2.75 Å) and three longer (2.77 Å) Mn–Ga bond lengths. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to five Mn, three equivalent Cu, and six Ga atoms. Theremore »
- Publication Date:
- Other Number(s):
- mp-1222076
- 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-Ga-Mn; Mn4Ga3Cu2; crystal structure
- OSTI Identifier:
- 1652919
- DOI:
- https://doi.org/10.17188/1652919
Citation Formats
Materials Data on Mn4Ga3Cu2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652919.
Materials Data on Mn4Ga3Cu2 by Materials Project. United States. doi:https://doi.org/10.17188/1652919
2020.
"Materials Data on Mn4Ga3Cu2 by Materials Project". United States. doi:https://doi.org/10.17188/1652919. https://www.osti.gov/servlets/purl/1652919. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1652919,
title = {Materials Data on Mn4Ga3Cu2 by Materials Project},
abstractNote = {Mn4Cu2Ga3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded to six Mn and five Ga atoms to form a mixture of distorted face and corner-sharing MnMn6Ga5 trigonal bipyramids. All Mn–Mn bond lengths are 2.75 Å. There are a spread of Mn–Ga bond distances ranging from 2.42–2.66 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two Mn, six Cu, and six Ga atoms. There are one shorter (2.64 Å) and one longer (2.70 Å) Mn–Mn bond lengths. There are three shorter (2.76 Å) and three longer (2.78 Å) Mn–Cu bond lengths. There are three shorter (2.76 Å) and three longer (2.78 Å) Mn–Ga bond lengths. In the third Mn site, Mn is bonded in a 9-coordinate geometry to five Mn, three equivalent Cu, and six Ga atoms. The Mn–Mn bond length is 2.58 Å. All Mn–Cu bond lengths are 2.77 Å. There are three shorter (2.75 Å) and three longer (2.77 Å) Mn–Ga bond lengths. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to five Mn, three equivalent Cu, and six Ga atoms. There are a spread of Mn–Mn bond distances ranging from 2.58–2.75 Å. All Mn–Cu bond lengths are 2.79 Å. There are three shorter (2.75 Å) and three longer (2.79 Å) Mn–Ga bond lengths. In the fifth Mn site, Mn is bonded in a 10-coordinate geometry to five Mn, three equivalent Cu, and six Ga atoms. All Mn–Cu bond lengths are 2.79 Å. There are three shorter (2.75 Å) and three longer (2.79 Å) Mn–Ga bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.42–2.68 Å. In the second Cu site, Cu is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are three shorter (2.42 Å) and two longer (2.66 Å) Cu–Ga bond lengths. In the third Cu site, Cu is bonded in a 11-coordinate geometry to six equivalent Mn and five Ga atoms. There are three shorter (2.42 Å) and two longer (2.67 Å) Cu–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to six equivalent Mn and five Cu atoms. In the second Ga site, Ga is bonded in a 11-coordinate geometry to nine Mn and two Cu atoms. In the third Ga site, Ga is bonded in a 11-coordinate geometry to seven Mn and four Cu atoms. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to eight Mn and three equivalent Cu atoms.},
doi = {10.17188/1652919},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}