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Title: Materials Data on Nb2SnO6 by Materials Project

Abstract

SnNb2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–56°. There are a spread of Nb–O bond distances ranging from 1.86–2.25 Å. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.20 Å) and two longer (2.40 Å) Sn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Sn2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3324
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; Nb2SnO6; Nb-O-Sn
OSTI Identifier:
1206528
DOI:
10.17188/1206528

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Nb2SnO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206528.
Persson, Kristin, & Project, Materials. Materials Data on Nb2SnO6 by Materials Project. United States. doi:10.17188/1206528.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Nb2SnO6 by Materials Project". United States. doi:10.17188/1206528. https://www.osti.gov/servlets/purl/1206528. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1206528,
title = {Materials Data on Nb2SnO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SnNb2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–56°. There are a spread of Nb–O bond distances ranging from 1.86–2.25 Å. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.20 Å) and two longer (2.40 Å) Sn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Sn2+ atoms.},
doi = {10.17188/1206528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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