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Title: Materials Data on Nd2O3 by Materials Project

Abstract

Nd2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of Nd–O bond distances ranging from 2.37–2.47 Å. In the second Nd3+ site, Nd3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Nd–O bond lengths are 2.41 Å. O2- is bonded to four Nd3+ atoms to form a mixture of distorted edge and corner-sharing ONd4 trigonal pyramids.

Publication Date:
Other Number(s):
mp-1045
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; Nd2O3; Nd-O
OSTI Identifier:
1187129
DOI:
https://doi.org/10.17188/1187129

Citation Formats

The Materials Project. Materials Data on Nd2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187129.
The Materials Project. Materials Data on Nd2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1187129
The Materials Project. 2020. "Materials Data on Nd2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1187129. https://www.osti.gov/servlets/purl/1187129. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1187129,
title = {Materials Data on Nd2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of Nd–O bond distances ranging from 2.37–2.47 Å. In the second Nd3+ site, Nd3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Nd–O bond lengths are 2.41 Å. O2- is bonded to four Nd3+ atoms to form a mixture of distorted edge and corner-sharing ONd4 trigonal pyramids.},
doi = {10.17188/1187129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}