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Title: Materials Data on Sn5O6 by Materials Project

Abstract

(SnO)2Sn3O4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sn3O4 sheet oriented in the (0, 0, 1) direction and one SnO sheet oriented in the (0, 0, 1) direction. In the Sn3O4 sheet, there are two inequivalent Sn+2.40+ sites. In the first Sn+2.40+ site, Sn+2.40+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.11 Å) and two longer (2.14 Å) Sn–O bond lengths. In the second Sn+2.40+ site, Sn+2.40+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Sn–O bond distances ranging from 2.10–2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn+2.40+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Sn+2.40+ atoms. In the SnO sheet, Sn+2.40+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.16 Å. O2- is bonded in a trigonal planar geometry to three equivalent Sn+2.40+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-978114
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; Sn5O6; O-Sn
OSTI Identifier:
1315866
DOI:
https://doi.org/10.17188/1315866

Citation Formats

The Materials Project. Materials Data on Sn5O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315866.
The Materials Project. Materials Data on Sn5O6 by Materials Project. United States. doi:https://doi.org/10.17188/1315866
The Materials Project. 2020. "Materials Data on Sn5O6 by Materials Project". United States. doi:https://doi.org/10.17188/1315866. https://www.osti.gov/servlets/purl/1315866. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1315866,
title = {Materials Data on Sn5O6 by Materials Project},
author = {The Materials Project},
abstractNote = {(SnO)2Sn3O4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sn3O4 sheet oriented in the (0, 0, 1) direction and one SnO sheet oriented in the (0, 0, 1) direction. In the Sn3O4 sheet, there are two inequivalent Sn+2.40+ sites. In the first Sn+2.40+ site, Sn+2.40+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.11 Å) and two longer (2.14 Å) Sn–O bond lengths. In the second Sn+2.40+ site, Sn+2.40+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Sn–O bond distances ranging from 2.10–2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn+2.40+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Sn+2.40+ atoms. In the SnO sheet, Sn+2.40+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.16 Å. O2- is bonded in a trigonal planar geometry to three equivalent Sn+2.40+ atoms.},
doi = {10.17188/1315866},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}