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Title: Materials Data on BaSn2 by Materials Project

Abstract

BaSn2 is Caswellsilverite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba is bonded to six equivalent Sn atoms to form BaSn6 octahedra that share corners with six equivalent SnBa3Sn3 octahedra, edges with six equivalent BaSn6 octahedra, and edges with six equivalent SnBa3Sn3 octahedra. The corner-sharing octahedral tilt angles are 16°. All Ba–Sn bond lengths are 3.54 Å. Sn is bonded to three equivalent Ba and three equivalent Sn atoms to form distorted SnBa3Sn3 octahedra that share corners with three equivalent BaSn6 octahedra, corners with three equivalent SnBa3Sn3 octahedra, edges with three equivalent BaSn6 octahedra, and edges with nine equivalent SnBa3Sn3 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. All Sn–Sn bond lengths are 2.99 Å.

Authors:
Publication Date:
Other Number(s):
mp-567510
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; BaSn2; Ba-Sn
OSTI Identifier:
1273905
DOI:
https://doi.org/10.17188/1273905

Citation Formats

The Materials Project. Materials Data on BaSn2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1273905.
The Materials Project. Materials Data on BaSn2 by Materials Project. United States. doi:https://doi.org/10.17188/1273905
The Materials Project. 2017. "Materials Data on BaSn2 by Materials Project". United States. doi:https://doi.org/10.17188/1273905. https://www.osti.gov/servlets/purl/1273905. Pub date:Wed Jun 07 00:00:00 EDT 2017
@article{osti_1273905,
title = {Materials Data on BaSn2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSn2 is Caswellsilverite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba is bonded to six equivalent Sn atoms to form BaSn6 octahedra that share corners with six equivalent SnBa3Sn3 octahedra, edges with six equivalent BaSn6 octahedra, and edges with six equivalent SnBa3Sn3 octahedra. The corner-sharing octahedral tilt angles are 16°. All Ba–Sn bond lengths are 3.54 Å. Sn is bonded to three equivalent Ba and three equivalent Sn atoms to form distorted SnBa3Sn3 octahedra that share corners with three equivalent BaSn6 octahedra, corners with three equivalent SnBa3Sn3 octahedra, edges with three equivalent BaSn6 octahedra, and edges with nine equivalent SnBa3Sn3 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. All Sn–Sn bond lengths are 2.99 Å.},
doi = {10.17188/1273905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {6}
}