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Title: Materials Data on NbSbO4 by Materials Project

Abstract

SbNbO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 31–46°. There are a spread of Nb–O bond distances ranging from 1.86–2.18 Å. Sb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Nb5+ and two equivalent Sb3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Sb3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one Sb3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3491
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; NbSbO4; Nb-O-Sb
OSTI Identifier:
1206905
DOI:
10.17188/1206905

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NbSbO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206905.
Persson, Kristin, & Project, Materials. Materials Data on NbSbO4 by Materials Project. United States. doi:10.17188/1206905.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NbSbO4 by Materials Project". United States. doi:10.17188/1206905. https://www.osti.gov/servlets/purl/1206905. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206905,
title = {Materials Data on NbSbO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SbNbO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 31–46°. There are a spread of Nb–O bond distances ranging from 1.86–2.18 Å. Sb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Nb5+ and two equivalent Sb3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Sb3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one Sb3+ atom.},
doi = {10.17188/1206905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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