skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on U2Se3 by Materials Project

Abstract

U2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing USe7 pentagonal bipyramids. There are a spread of U–Se bond distances ranging from 2.88–2.92 Å. In the second U3+ site, U3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.95–3.46 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five U3+ atoms to form a mixture of distorted corner and edge-sharing SeU5 trigonal bipyramids. In the second Se2- site, Se2- is bonded to five U3+ atoms to form a mixture of distorted corner and edge-sharing SeU5 square pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five U3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-600216
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; U2Se3; Se-U
OSTI Identifier:
1182421
DOI:
10.17188/1182421

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on U2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1182421.
Persson, Kristin, & Project, Materials. Materials Data on U2Se3 by Materials Project. United States. doi:10.17188/1182421.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on U2Se3 by Materials Project". United States. doi:10.17188/1182421. https://www.osti.gov/servlets/purl/1182421. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1182421,
title = {Materials Data on U2Se3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {U2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing USe7 pentagonal bipyramids. There are a spread of U–Se bond distances ranging from 2.88–2.92 Å. In the second U3+ site, U3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.95–3.46 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five U3+ atoms to form a mixture of distorted corner and edge-sharing SeU5 trigonal bipyramids. In the second Se2- site, Se2- is bonded to five U3+ atoms to form a mixture of distorted corner and edge-sharing SeU5 square pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five U3+ atoms.},
doi = {10.17188/1182421},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: