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Title: Materials Data on NdAsO4 by Materials Project

Abstract

NdAsO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.45–2.63 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. All As–O bond lengths are 1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one As5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556843
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; NdAsO4; As-Nd-O
OSTI Identifier:
1269568
DOI:
10.17188/1269568

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NdAsO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269568.
Persson, Kristin, & Project, Materials. Materials Data on NdAsO4 by Materials Project. United States. doi:10.17188/1269568.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NdAsO4 by Materials Project". United States. doi:10.17188/1269568. https://www.osti.gov/servlets/purl/1269568. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1269568,
title = {Materials Data on NdAsO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NdAsO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.45–2.63 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. All As–O bond lengths are 1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one As5+ atom.},
doi = {10.17188/1269568},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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