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Title: Materials Data on NdO3 by Materials Project

Abstract

NdO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.65 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Nd–O bond distances ranging from 2.28–2.62 Å. There are six inequivalent O sites. In the first O site, O is bonded to four Nd atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Nd and one O atom. The O–O bond length is 1.36 Å. In the third O site, O is bonded to four Nd atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the fourth O site, O is bonded in a trigonal planar geometry to two Nd and one O atom. In the fifth 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. Themore » O–O bond length is 1.40 Å. In the sixth O site, O is bonded in a 4-coordinate geometry to three equivalent Nd and one O atom.« less

Publication Date:
Other Number(s):
mp-673673
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; NdO3; Nd-O
OSTI Identifier:
1282380
DOI:
10.17188/1282380

Citation Formats

The Materials Project. Materials Data on NdO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282380.
The Materials Project. Materials Data on NdO3 by Materials Project. United States. doi:10.17188/1282380.
The Materials Project. 2020. "Materials Data on NdO3 by Materials Project". United States. doi:10.17188/1282380. https://www.osti.gov/servlets/purl/1282380. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1282380,
title = {Materials Data on NdO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NdO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.65 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Nd–O bond distances ranging from 2.28–2.62 Å. There are six inequivalent O sites. In the first O site, O is bonded to four Nd atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Nd and one O atom. The O–O bond length is 1.36 Å. In the third O site, O is bonded to four Nd atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the fourth O site, O is bonded in a trigonal planar geometry to two Nd and one O atom. In the fifth 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. The O–O bond length is 1.40 Å. In the sixth O site, O is bonded in a 4-coordinate geometry to three equivalent Nd and one O atom.},
doi = {10.17188/1282380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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