DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

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:
Publication Date:
Other Number(s):
mp-27180
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NdSBr; Br-Nd-S
OSTI Identifier:
1201391
DOI:
https://doi.org/10.17188/1201391

Citation Formats

The Materials Project. Materials Data on NdSBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201391.
The Materials Project. Materials Data on NdSBr by Materials Project. United States. doi:https://doi.org/10.17188/1201391
The Materials Project. 2020. "Materials Data on NdSBr by Materials Project". United States. doi:https://doi.org/10.17188/1201391. https://www.osti.gov/servlets/purl/1201391. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1201391,
title = {Materials Data on NdSBr by Materials Project},
author = {The Materials Project},
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}
}