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Title: Materials Data on SrBiS2F by Materials Project

Abstract

SrFBiS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent F1- atoms. All Sr–S bond lengths are 3.14 Å. All Sr–F bond lengths are 2.51 Å. Bi3+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing BiS6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Bi–S bond distances ranging from 2.51–3.48 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing SBi5 square pyramids. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent Sr2+ and one Bi3+ atom. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.

Publication Date:
Other Number(s):
mp-1078631
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; SrBiS2F; Bi-F-S-Sr
OSTI Identifier:
1746930
DOI:
https://doi.org/10.17188/1746930

Citation Formats

The Materials Project. Materials Data on SrBiS2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746930.
The Materials Project. Materials Data on SrBiS2F by Materials Project. United States. doi:https://doi.org/10.17188/1746930
The Materials Project. 2020. "Materials Data on SrBiS2F by Materials Project". United States. doi:https://doi.org/10.17188/1746930. https://www.osti.gov/servlets/purl/1746930. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746930,
title = {Materials Data on SrBiS2F by Materials Project},
author = {The Materials Project},
abstractNote = {SrFBiS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent F1- atoms. All Sr–S bond lengths are 3.14 Å. All Sr–F bond lengths are 2.51 Å. Bi3+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing BiS6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Bi–S bond distances ranging from 2.51–3.48 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing SBi5 square pyramids. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent Sr2+ and one Bi3+ atom. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.},
doi = {10.17188/1746930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}