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Title: Materials Data on NdBrO2 by Materials Project

Abstract

NdO2Br crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to seven O and three equivalent Br atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.74 Å. There are one shorter (3.01 Å) and two longer (3.20 Å) Nd–Br bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Nd and one O atom. The O–O bond length is 1.51 Å. In the second O site, O is bonded to three equivalent Nd and one O atom to form a mixture of corner and edge-sharing ONd3O trigonal pyramids. Br is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd atoms.

Authors:
Publication Date:
Other Number(s):
mp-1025511
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; NdBrO2; Br-Nd-O
OSTI Identifier:
1355398
DOI:
https://doi.org/10.17188/1355398

Citation Formats

The Materials Project. Materials Data on NdBrO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355398.
The Materials Project. Materials Data on NdBrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1355398
The Materials Project. 2020. "Materials Data on NdBrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1355398. https://www.osti.gov/servlets/purl/1355398. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355398,
title = {Materials Data on NdBrO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdO2Br crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to seven O and three equivalent Br atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.74 Å. There are one shorter (3.01 Å) and two longer (3.20 Å) Nd–Br bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Nd and one O atom. The O–O bond length is 1.51 Å. In the second O site, O is bonded to three equivalent Nd and one O atom to form a mixture of corner and edge-sharing ONd3O trigonal pyramids. Br is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd atoms.},
doi = {10.17188/1355398},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}