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Title: Materials Data on NdAsSe by Materials Project

Abstract

NdAsSe is Matlockite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are two shorter (3.18 Å) and two longer (3.30 Å) Nd–As bond lengths. There are a spread of Nd–Se bond distances ranging from 2.96–3.14 Å. As1- is bonded in a 7-coordinate geometry to four equivalent Nd3+ and three equivalent As1- atoms. There are one shorter (2.52 Å) and two longer (2.87 Å) As–As bond lengths. Se2- is bonded in a 5-coordinate geometry to five equivalent Nd3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-690674
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; NdAsSe; As-Nd-Se
OSTI Identifier:
1284558
DOI:
10.17188/1284558

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NdAsSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284558.
Persson, Kristin, & Project, Materials. Materials Data on NdAsSe by Materials Project. United States. doi:10.17188/1284558.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NdAsSe by Materials Project". United States. doi:10.17188/1284558. https://www.osti.gov/servlets/purl/1284558. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1284558,
title = {Materials Data on NdAsSe by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NdAsSe is Matlockite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are two shorter (3.18 Å) and two longer (3.30 Å) Nd–As bond lengths. There are a spread of Nd–Se bond distances ranging from 2.96–3.14 Å. As1- is bonded in a 7-coordinate geometry to four equivalent Nd3+ and three equivalent As1- atoms. There are one shorter (2.52 Å) and two longer (2.87 Å) As–As bond lengths. Se2- is bonded in a 5-coordinate geometry to five equivalent Nd3+ atoms.},
doi = {10.17188/1284558},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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