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Title: Materials Data on BaSnF6 by Materials Project

Abstract

BaSnF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent F1- atoms to form BaF12 cuboctahedra that share corners with six equivalent SnF6 octahedra, edges with six equivalent BaF12 cuboctahedra, and faces with two equivalent SnF6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are six shorter (2.85 Å) and six longer (2.98 Å) Ba–F bond lengths. Sn4+ is bonded to six equivalent F1- atoms to form SnF6 octahedra that share corners with six equivalent BaF12 cuboctahedra and faces with two equivalent BaF12 cuboctahedra. All Sn–F bond lengths are 2.01 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Sn4+ atom.

Publication Date:
Other Number(s):
mp-8290
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaSnF6; Ba-F-Sn
OSTI Identifier:
1308019
DOI:
https://doi.org/10.17188/1308019

Citation Formats

The Materials Project. Materials Data on BaSnF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308019.
The Materials Project. Materials Data on BaSnF6 by Materials Project. United States. doi:https://doi.org/10.17188/1308019
The Materials Project. 2020. "Materials Data on BaSnF6 by Materials Project". United States. doi:https://doi.org/10.17188/1308019. https://www.osti.gov/servlets/purl/1308019. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1308019,
title = {Materials Data on BaSnF6 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSnF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent F1- atoms to form BaF12 cuboctahedra that share corners with six equivalent SnF6 octahedra, edges with six equivalent BaF12 cuboctahedra, and faces with two equivalent SnF6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are six shorter (2.85 Å) and six longer (2.98 Å) Ba–F bond lengths. Sn4+ is bonded to six equivalent F1- atoms to form SnF6 octahedra that share corners with six equivalent BaF12 cuboctahedra and faces with two equivalent BaF12 cuboctahedra. All Sn–F bond lengths are 2.01 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Sn4+ atom.},
doi = {10.17188/1308019},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}