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Title: Materials Data on NdSBr by Materials Project

Abstract

NdSBr is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded to four equivalent S2- and three equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing NdS4Br3 pentagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.82–2.84 Å. There are a spread of Nd–Br bond distances ranging from 3.04–3.15 Å. S2- is bonded to four equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing SNd4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Nd3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1201391
Report Number(s):
mp-27180
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; NdSBr; Br-Nd-S

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NdSBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201391.
Persson, Kristin, & Project, Materials. Materials Data on NdSBr by Materials Project. United States. doi:10.17188/1201391.
Persson, Kristin, and Project, Materials. Tue . "Materials Data on NdSBr by Materials Project". United States. doi:10.17188/1201391. https://www.osti.gov/servlets/purl/1201391.
@article{osti_1201391,
title = {Materials Data on NdSBr by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NdSBr is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded to four equivalent S2- and three equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing NdS4Br3 pentagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.82–2.84 Å. There are a spread of Nd–Br bond distances ranging from 3.04–3.15 Å. S2- is bonded to four equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing SNd4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Nd3+ atoms.},
doi = {10.17188/1201391},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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