U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UMn3 by Materials Project
Abstract
UMn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded to twelve Mn atoms to form UMn12 cuboctahedra that share corners with four equivalent UMn12 cuboctahedra, corners with eight equivalent MnU4Mn8 cuboctahedra, edges with eight equivalent UMn12 cuboctahedra, edges with sixteen equivalent MnU4Mn8 cuboctahedra, faces with four equivalent UMn12 cuboctahedra, and faces with fourteen MnU4Mn8 cuboctahedra. There are eight shorter (2.67 Å) and four longer (2.69 Å) U–Mn bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent U and eight equivalent Mn atoms to form MnU4Mn8 cuboctahedra that share corners with four equivalent MnU4Mn8 cuboctahedra, corners with eight equivalent UMn12 cuboctahedra, edges with twenty-four MnU4Mn8 cuboctahedra, faces with six equivalent UMn12 cuboctahedra, and faces with twelve MnU4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.67 Å. In the second Mn site, Mn is bonded to four equivalent U and eight Mn atoms to form MnU4Mn8 cuboctahedra that share corners with twelve equivalent MnU4Mn8 cuboctahedra, edges with eight equivalent UMn12 cuboctahedra, edges with sixteen MnU4Mn8 cuboctahedra, faces with four equivalent UMn12 cuboctahedra, and faces with fourteen MnU4Mn8 cuboctahedra. All Mn–Mn bond lengthsmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1187748
- 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; UMn3; Mn-U
- OSTI Identifier:
- 1740772
- DOI:
- https://doi.org/10.17188/1740772
Citation Formats
The Materials Project. Materials Data on UMn3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740772.
The Materials Project. Materials Data on UMn3 by Materials Project. United States. doi:https://doi.org/10.17188/1740772
The Materials Project. 2020.
"Materials Data on UMn3 by Materials Project". United States. doi:https://doi.org/10.17188/1740772. https://www.osti.gov/servlets/purl/1740772. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1740772,
title = {Materials Data on UMn3 by Materials Project},
author = {The Materials Project},
abstractNote = {UMn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded to twelve Mn atoms to form UMn12 cuboctahedra that share corners with four equivalent UMn12 cuboctahedra, corners with eight equivalent MnU4Mn8 cuboctahedra, edges with eight equivalent UMn12 cuboctahedra, edges with sixteen equivalent MnU4Mn8 cuboctahedra, faces with four equivalent UMn12 cuboctahedra, and faces with fourteen MnU4Mn8 cuboctahedra. There are eight shorter (2.67 Å) and four longer (2.69 Å) U–Mn bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent U and eight equivalent Mn atoms to form MnU4Mn8 cuboctahedra that share corners with four equivalent MnU4Mn8 cuboctahedra, corners with eight equivalent UMn12 cuboctahedra, edges with twenty-four MnU4Mn8 cuboctahedra, faces with six equivalent UMn12 cuboctahedra, and faces with twelve MnU4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.67 Å. In the second Mn site, Mn is bonded to four equivalent U and eight Mn atoms to form MnU4Mn8 cuboctahedra that share corners with twelve equivalent MnU4Mn8 cuboctahedra, edges with eight equivalent UMn12 cuboctahedra, edges with sixteen MnU4Mn8 cuboctahedra, faces with four equivalent UMn12 cuboctahedra, and faces with fourteen MnU4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.69 Å.},
doi = {10.17188/1740772},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}