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Title: 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°.

Publication Date:
Other Number(s):
mp-1190712
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}