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Title: Materials Data on SnO2 by Materials Project

Abstract

SnO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are three shorter (2.09 Å) and three longer (2.10 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Sn–O bond distances ranging from 2.06–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Sn4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sn4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-555487
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; SnO2; O-Sn
OSTI Identifier:
1268832
DOI:
https://doi.org/10.17188/1268832

Citation Formats

The Materials Project. Materials Data on SnO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268832.
The Materials Project. Materials Data on SnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1268832
The Materials Project. 2020. "Materials Data on SnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1268832. https://www.osti.gov/servlets/purl/1268832. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1268832,
title = {Materials Data on SnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {SnO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are three shorter (2.09 Å) and three longer (2.10 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are a spread of Sn–O bond distances ranging from 2.06–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Sn4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn4+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sn4+ atoms.},
doi = {10.17188/1268832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}