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 = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}