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Title: Materials Data on NbRhO4 by Materials Project

Abstract

RhNbO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with four equivalent RhO6 octahedra, and edges with two equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 42–52°. There are a spread of Nb–O bond distances ranging from 1.95–2.08 Å. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with four equivalent RhO6 octahedra, and edges with two equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–50°. There are a spread of Rh–O bond distances ranging from 2.00–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nb5+ and one Rh3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Rh3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-756638
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; NbRhO4; Nb-O-Rh
OSTI Identifier:
1290577
DOI:
10.17188/1290577

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NbRhO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290577.
Persson, Kristin, & Project, Materials. Materials Data on NbRhO4 by Materials Project. United States. doi:10.17188/1290577.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NbRhO4 by Materials Project". United States. doi:10.17188/1290577. https://www.osti.gov/servlets/purl/1290577. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1290577,
title = {Materials Data on NbRhO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RhNbO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with four equivalent RhO6 octahedra, and edges with two equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 42–52°. There are a spread of Nb–O bond distances ranging from 1.95–2.08 Å. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with four equivalent RhO6 octahedra, and edges with two equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–50°. There are a spread of Rh–O bond distances ranging from 2.00–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nb5+ and one Rh3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Rh3+ atoms.},
doi = {10.17188/1290577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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