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:
- Publication Date:
- Other Number(s):
- mp-3324
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Nb2SnO6; Nb-O-Sn
- OSTI Identifier:
- 1206528
- DOI:
- https://doi.org/10.17188/1206528
Citation Formats
The Materials Project. Materials Data on Nb2SnO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206528.
The Materials Project. Materials Data on Nb2SnO6 by Materials Project. United States. doi:https://doi.org/10.17188/1206528
The Materials Project. 2020.
"Materials Data on Nb2SnO6 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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}
}