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Title: Materials Data on Fe2SiS4 by Materials Project

Abstract

Fe2SiS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with six equivalent SiS4 tetrahedra and edges with six equivalent FeS6 octahedra. All Fe–S bond lengths are 2.44 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with twelve equivalent FeS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Si–S bond lengths are 2.18 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe2+ and one Si4+ atom.

Publication Date:
Other Number(s):
mp-1096954
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; Fe2SiS4; Fe-S-Si
OSTI Identifier:
1685947
DOI:
https://doi.org/10.17188/1685947

Citation Formats

The Materials Project. Materials Data on Fe2SiS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685947.
The Materials Project. Materials Data on Fe2SiS4 by Materials Project. United States. doi:https://doi.org/10.17188/1685947
The Materials Project. 2020. "Materials Data on Fe2SiS4 by Materials Project". United States. doi:https://doi.org/10.17188/1685947. https://www.osti.gov/servlets/purl/1685947. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685947,
title = {Materials Data on Fe2SiS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2SiS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with six equivalent SiS4 tetrahedra and edges with six equivalent FeS6 octahedra. All Fe–S bond lengths are 2.44 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with twelve equivalent FeS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Si–S bond lengths are 2.18 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe2+ and one Si4+ atom.},
doi = {10.17188/1685947},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}