Materials Data on Ba3UMnSe6 by Materials Project
Abstract
Ba3UMnSe6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.33–3.46 Å. U4+ is bonded to six equivalent Se2- atoms to form distorted USe6 pentagonal pyramids that share faces with two equivalent MnSe6 octahedra. All U–Se bond lengths are 2.85 Å. Mn2+ is bonded to six equivalent Se2- atoms to form MnSe6 octahedra that share faces with two equivalent USe6 pentagonal pyramids. All Mn–Se bond lengths are 2.73 Å. Se2- is bonded to four equivalent Ba2+, one U4+, and one Mn2+ atom to form a mixture of distorted edge, face, and corner-sharing SeBa4UMn octahedra. The corner-sharing octahedra tilt angles range from 0–67°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1190712
- 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; Ba3UMnSe6; Ba-Mn-Se-U
- OSTI Identifier:
- 1662970
- DOI:
- https://doi.org/10.17188/1662970
Citation Formats
The Materials Project. Materials Data on Ba3UMnSe6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1662970.
The Materials Project. Materials Data on Ba3UMnSe6 by Materials Project. United States. doi:https://doi.org/10.17188/1662970
The Materials Project. 2020.
"Materials Data on Ba3UMnSe6 by Materials Project". United States. doi:https://doi.org/10.17188/1662970. https://www.osti.gov/servlets/purl/1662970. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1662970,
title = {Materials Data on Ba3UMnSe6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3UMnSe6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.33–3.46 Å. U4+ is bonded to six equivalent Se2- atoms to form distorted USe6 pentagonal pyramids that share faces with two equivalent MnSe6 octahedra. All U–Se bond lengths are 2.85 Å. Mn2+ is bonded to six equivalent Se2- atoms to form MnSe6 octahedra that share faces with two equivalent USe6 pentagonal pyramids. All Mn–Se bond lengths are 2.73 Å. Se2- is bonded to four equivalent Ba2+, one U4+, and one Mn2+ atom to form a mixture of distorted edge, face, and corner-sharing SeBa4UMn octahedra. The corner-sharing octahedra tilt angles range from 0–67°.},
doi = {10.17188/1662970},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}