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Title: Materials Data on Gd2USe5 by Materials Project

Abstract

UGd2Se5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded to seven Se2- atoms to form distorted edge-sharing USe7 pentagonal bipyramids. There are a spread of U–Se bond distances ranging from 2.76–2.96 Å. Gd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Gd–Se bond distances ranging from 2.96–3.10 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent U4+ and two equivalent Gd3+ atoms. In the second Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing SeGd4U trigonal bipyramids. In the third Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of edge, face, and corner-sharing SeGd4U square pyramids. In the fourth Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of edge, face, and corner-sharing SeGd4U square pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1198013
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; Gd2USe5; Gd-Se-U
OSTI Identifier:
1672339
DOI:
10.17188/1672339

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Gd2USe5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672339.
Persson, Kristin, & Project, Materials. Materials Data on Gd2USe5 by Materials Project. United States. doi:10.17188/1672339.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Gd2USe5 by Materials Project". United States. doi:10.17188/1672339. https://www.osti.gov/servlets/purl/1672339. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672339,
title = {Materials Data on Gd2USe5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {UGd2Se5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded to seven Se2- atoms to form distorted edge-sharing USe7 pentagonal bipyramids. There are a spread of U–Se bond distances ranging from 2.76–2.96 Å. Gd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Gd–Se bond distances ranging from 2.96–3.10 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent U4+ and two equivalent Gd3+ atoms. In the second Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing SeGd4U trigonal bipyramids. In the third Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of edge, face, and corner-sharing SeGd4U square pyramids. In the fourth Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of edge, face, and corner-sharing SeGd4U square pyramids.},
doi = {10.17188/1672339},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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