skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Fe2S3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313309· OSTI ID:1313309

Fe2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent S2- atoms to form a mixture of corner, edge, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 49–56°. There are three shorter (2.22 Å) and three longer (2.31 Å) Fe–S bond lengths. S2- is bonded in a 4-coordinate geometry to four equivalent Fe3+ atoms.

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:
1313309
Report Number(s):
mp-952567
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Fe5Ni7S16 by Materials Project
Dataset · Thu Jun 04 00:00:00 EDT 2020 · OSTI ID:1313309

Materials Data on TlV4FeS8 by Materials Project
Dataset · Wed Jul 18 00:00:00 EDT 2018 · OSTI ID:1313309

Materials Data on Yb2FeS4 by Materials Project
Dataset · Wed Apr 29 00:00:00 EDT 2020 · OSTI ID:1313309