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Title: Materials Data on SnBO3 by Materials Project

Abstract

BSnO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.32 Å. In the second Sn3+ site, Sn3+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 2.00–2.10 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one Sn3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one Sn3+ atom. In the third O2- site, O2- is bonded in amore » distorted water-like geometry to one B3+ and one Sn3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one B3+ and two Sn3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one B3+ and two Sn3+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one Sn3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-772724
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; SnBO3; B-O-Sn
OSTI Identifier:
1301447
DOI:
https://doi.org/10.17188/1301447

Citation Formats

The Materials Project. Materials Data on SnBO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301447.
The Materials Project. Materials Data on SnBO3 by Materials Project. United States. doi:https://doi.org/10.17188/1301447
The Materials Project. 2020. "Materials Data on SnBO3 by Materials Project". United States. doi:https://doi.org/10.17188/1301447. https://www.osti.gov/servlets/purl/1301447. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1301447,
title = {Materials Data on SnBO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BSnO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.32 Å. In the second Sn3+ site, Sn3+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 2.00–2.10 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one Sn3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one Sn3+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one B3+ and one Sn3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one B3+ and two Sn3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one B3+ and two Sn3+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one Sn3+ atom.},
doi = {10.17188/1301447},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}