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Title: Materials Data on NdSe2 by Materials Project

Abstract

NdSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Nd–Se bond distances ranging from 3.00–3.24 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 5-coordinate geometry to four equivalent Nd3+ and one Se+1.50- atom. The Se–Se bond length is 2.54 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-570707
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; NdSe2; Nd-Se
OSTI Identifier:
1275870
DOI:
10.17188/1275870

Citation Formats

The Materials Project. Materials Data on NdSe2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1275870.
The Materials Project. Materials Data on NdSe2 by Materials Project. United States. doi:10.17188/1275870.
The Materials Project. 2017. "Materials Data on NdSe2 by Materials Project". United States. doi:10.17188/1275870. https://www.osti.gov/servlets/purl/1275870. Pub date:Fri May 19 00:00:00 EDT 2017
@article{osti_1275870,
title = {Materials Data on NdSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Nd–Se bond distances ranging from 3.00–3.24 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 5-coordinate geometry to four equivalent Nd3+ and one Se+1.50- atom. The Se–Se bond length is 2.54 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids.},
doi = {10.17188/1275870},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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