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Title: Materials Data on Nd2Se3 by Materials Project

Abstract

Nd2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.96–3.30 Å. In the second Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.99–3.16 Å. In the third Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 3.00–3.23 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeNd5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Nd3+ atoms. In the third Se2- site, Se2- is bonded to five Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeNd5 squaremore » pyramids.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-32688
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; Nd2Se3; Nd-Se
OSTI Identifier:
1206351
DOI:
10.17188/1206351

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Nd2Se3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1206351.
Persson, Kristin, & Project, Materials. Materials Data on Nd2Se3 by Materials Project. United States. doi:10.17188/1206351.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Nd2Se3 by Materials Project". United States. doi:10.17188/1206351. https://www.osti.gov/servlets/purl/1206351. Pub date:Fri May 19 00:00:00 EDT 2017
@article{osti_1206351,
title = {Materials Data on Nd2Se3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Nd2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.96–3.30 Å. In the second Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.99–3.16 Å. In the third Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 3.00–3.23 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeNd5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Nd3+ atoms. In the third Se2- site, Se2- is bonded to five Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeNd5 square pyramids.},
doi = {10.17188/1206351},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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