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Title: Materials Data on NdTaO4 by Materials Project

Abstract

NdTaO4 crystallizes in the monoclinic P2/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 2.39–2.62 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.88–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Ta5+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3203
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; NdTaO4; Nd-O-Ta
OSTI Identifier:
1206059
DOI:
10.17188/1206059

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NdTaO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206059.
Persson, Kristin, & Project, Materials. Materials Data on NdTaO4 by Materials Project. United States. doi:10.17188/1206059.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NdTaO4 by Materials Project". United States. doi:10.17188/1206059. https://www.osti.gov/servlets/purl/1206059. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1206059,
title = {Materials Data on NdTaO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NdTaO4 crystallizes in the monoclinic P2/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 2.39–2.62 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.88–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1206059},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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