DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BaAgSF by Materials Project

Abstract

BaFAgS is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent F1- atoms. All Ba–S bond lengths are 3.38 Å. All Ba–F bond lengths are 2.67 Å. Ag1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing AgS4 tetrahedra. All Ag–S bond lengths are 2.71 Å. S2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Ag1+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1086652
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; BaAgSF; Ag-Ba-F-S
OSTI Identifier:
1688185
DOI:
https://doi.org/10.17188/1688185

Citation Formats

The Materials Project. Materials Data on BaAgSF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688185.
The Materials Project. Materials Data on BaAgSF by Materials Project. United States. doi:https://doi.org/10.17188/1688185
The Materials Project. 2020. "Materials Data on BaAgSF by Materials Project". United States. doi:https://doi.org/10.17188/1688185. https://www.osti.gov/servlets/purl/1688185. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1688185,
title = {Materials Data on BaAgSF by Materials Project},
author = {The Materials Project},
abstractNote = {BaFAgS is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent F1- atoms. All Ba–S bond lengths are 3.38 Å. All Ba–F bond lengths are 2.67 Å. Ag1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing AgS4 tetrahedra. All Ag–S bond lengths are 2.71 Å. S2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Ag1+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.},
doi = {10.17188/1688185},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}