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Title: Materials Data on Ba4Sn3O10 by Materials Project

Abstract

Ba4Sn3O10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.83–3.32 Å. In the second Ba2+ site, Ba2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.55–3.22 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form face-sharing SnO6 octahedra. There are two shorter (2.10 Å) and four longer (2.11 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of distorted face and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Sn–O bond distances ranging from 1.99–2.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ba2+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OBa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O2- site, O2- ismore » bonded in a 6-coordinate geometry to four Ba2+ and two Sn4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+ and two equivalent Sn4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+ and one Sn4+ atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1301049
Report Number(s):
mp-772086
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Ba4Sn3O10; Ba-O-Sn

Citation Formats

The Materials Project. Materials Data on Ba4Sn3O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301049.
The Materials Project. Materials Data on Ba4Sn3O10 by Materials Project. United States. https://doi.org/10.17188/1301049
The Materials Project. Wed . "Materials Data on Ba4Sn3O10 by Materials Project". United States. https://doi.org/10.17188/1301049. https://www.osti.gov/servlets/purl/1301049.
@article{osti_1301049,
title = {Materials Data on Ba4Sn3O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba4Sn3O10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.83–3.32 Å. In the second Ba2+ site, Ba2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.55–3.22 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form face-sharing SnO6 octahedra. There are two shorter (2.10 Å) and four longer (2.11 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form a mixture of distorted face and corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Sn–O bond distances ranging from 1.99–2.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ba2+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OBa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two Sn4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+ and two equivalent Sn4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+ and one Sn4+ atom.},
doi = {10.17188/1301049},
url = {https://www.osti.gov/biblio/1301049}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}