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Title: Materials Data on FeS by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196222· OSTI ID:1196222

FeS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S2- atoms to form a mixture of face, edge, and corner-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Fe–S bond lengths are 2.43 Å. S2- is bonded to six equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing SFe6 pentagonal pyramids.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1196222
Report Number(s):
mp-2099
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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