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Title: Materials Data on Nb2Sn2O7 by Materials Project

Abstract

Sn2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Nb–O bond lengths are 2.02 Å. Sn2+ is bonded in a distorted linear geometry to eight O2- atoms. There are two shorter (2.33 Å) and six longer (2.76 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ and two equivalent Sn2+ atoms. In the second O2- site, O2- is bonded to four equivalent Sn2+ atoms to form corner-sharing OSn4 tetrahedra.

Publication Date:
Other Number(s):
mp-556524
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; Nb2Sn2O7; Nb-O-Sn
OSTI Identifier:
1269396
DOI:
10.17188/1269396

Citation Formats

The Materials Project. Materials Data on Nb2Sn2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269396.
The Materials Project. Materials Data on Nb2Sn2O7 by Materials Project. United States. doi:10.17188/1269396.
The Materials Project. 2020. "Materials Data on Nb2Sn2O7 by Materials Project". United States. doi:10.17188/1269396. https://www.osti.gov/servlets/purl/1269396. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1269396,
title = {Materials Data on Nb2Sn2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Nb–O bond lengths are 2.02 Å. Sn2+ is bonded in a distorted linear geometry to eight O2- atoms. There are two shorter (2.33 Å) and six longer (2.76 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ and two equivalent Sn2+ atoms. In the second O2- site, O2- is bonded to four equivalent Sn2+ atoms to form corner-sharing OSn4 tetrahedra.},
doi = {10.17188/1269396},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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