U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn3Zn by Materials Project
Abstract
Mn3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Zn atoms to form MnMn8Zn4 cuboctahedra that share corners with twelve equivalent MnMn8Zn4 cuboctahedra, edges with eight equivalent ZnMn12 cuboctahedra, edges with sixteen MnMn8Zn4 cuboctahedra, faces with four equivalent ZnMn12 cuboctahedra, and faces with fourteen MnMn8Zn4 cuboctahedra. There are four shorter (2.48 Å) and four longer (2.59 Å) Mn–Mn bond lengths. All Mn–Zn bond lengths are 2.59 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Zn atoms to form MnMn8Zn4 cuboctahedra that share corners with four equivalent MnMn8Zn4 cuboctahedra, corners with eight equivalent ZnMn12 cuboctahedra, edges with twenty-four MnMn8Zn4 cuboctahedra, faces with six equivalent ZnMn12 cuboctahedra, and faces with twelve MnMn8Zn4 cuboctahedra. All Mn–Zn bond lengths are 2.48 Å. Zn is bonded to twelve Mn atoms to form ZnMn12 cuboctahedra that share corners with four equivalent ZnMn12 cuboctahedra, corners with eight equivalent MnMn8Zn4 cuboctahedra, edges with eight equivalent ZnMn12 cuboctahedra, edges with sixteen equivalent MnMn8Zn4 cuboctahedra, faces with four equivalent ZnMn12 cuboctahedra, and faces withmore »
- Publication Date:
- Other Number(s):
- mp-973181
- 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; Mn-Zn; Mn3Zn; crystal structure
- OSTI Identifier:
- 1314034
- DOI:
- https://doi.org/10.17188/1314034
Citation Formats
Materials Data on Mn3Zn by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314034.
Materials Data on Mn3Zn by Materials Project. United States. doi:https://doi.org/10.17188/1314034
2020.
"Materials Data on Mn3Zn by Materials Project". United States. doi:https://doi.org/10.17188/1314034. https://www.osti.gov/servlets/purl/1314034. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1314034,
title = {Materials Data on Mn3Zn by Materials Project},
abstractNote = {Mn3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Zn atoms to form MnMn8Zn4 cuboctahedra that share corners with twelve equivalent MnMn8Zn4 cuboctahedra, edges with eight equivalent ZnMn12 cuboctahedra, edges with sixteen MnMn8Zn4 cuboctahedra, faces with four equivalent ZnMn12 cuboctahedra, and faces with fourteen MnMn8Zn4 cuboctahedra. There are four shorter (2.48 Å) and four longer (2.59 Å) Mn–Mn bond lengths. All Mn–Zn bond lengths are 2.59 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Zn atoms to form MnMn8Zn4 cuboctahedra that share corners with four equivalent MnMn8Zn4 cuboctahedra, corners with eight equivalent ZnMn12 cuboctahedra, edges with twenty-four MnMn8Zn4 cuboctahedra, faces with six equivalent ZnMn12 cuboctahedra, and faces with twelve MnMn8Zn4 cuboctahedra. All Mn–Zn bond lengths are 2.48 Å. Zn is bonded to twelve Mn atoms to form ZnMn12 cuboctahedra that share corners with four equivalent ZnMn12 cuboctahedra, corners with eight equivalent MnMn8Zn4 cuboctahedra, edges with eight equivalent ZnMn12 cuboctahedra, edges with sixteen equivalent MnMn8Zn4 cuboctahedra, faces with four equivalent ZnMn12 cuboctahedra, and faces with fourteen MnMn8Zn4 cuboctahedra.},
doi = {10.17188/1314034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}