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Title: Materials Data on Nd2O5 by Materials Project

Abstract

Nd2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.32–2.65 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three equivalent Nd and one O atom. The O–O bond length is 1.49 Å. In the second O site, O is bonded to four equivalent Nd atoms to form ONd4 tetrahedra that share corners with eight equivalent ONd3O tetrahedra and edges with four ONd4 tetrahedra. In the third O site, O is bonded to three equivalent Nd and one O atom to form a mixture of distorted edge and corner-sharing ONd3O tetrahedra.

Publication Date:
Other Number(s):
mp-985608
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; Nd2O5; Nd-O
OSTI Identifier:
1281947
DOI:
10.17188/1281947

Citation Formats

The Materials Project. Materials Data on Nd2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281947.
The Materials Project. Materials Data on Nd2O5 by Materials Project. United States. doi:10.17188/1281947.
The Materials Project. 2020. "Materials Data on Nd2O5 by Materials Project". United States. doi:10.17188/1281947. https://www.osti.gov/servlets/purl/1281947. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1281947,
title = {Materials Data on Nd2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.32–2.65 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three equivalent Nd and one O atom. The O–O bond length is 1.49 Å. In the second O site, O is bonded to four equivalent Nd atoms to form ONd4 tetrahedra that share corners with eight equivalent ONd3O tetrahedra and edges with four ONd4 tetrahedra. In the third O site, O is bonded to three equivalent Nd and one O atom to form a mixture of distorted edge and corner-sharing ONd3O tetrahedra.},
doi = {10.17188/1281947},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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