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Title: Materials Data on FeO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1709188· OSTI ID:1709188

FeO is Halite, Rock Salt-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are two shorter (2.09 Å) and four longer (2.27 Å) Fe–O bond lengths. In the second Fe2+ site, Fe2+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are four shorter (2.17 Å) and two longer (2.25 Å) Fe–O bond lengths. O2- is bonded to six Fe2+ atoms to form a mixture of corner and edge-sharing OFe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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:
1709188
Report Number(s):
mp-1178232
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

References (2)

Phase Relationship of CaO-SiO2-FeO-5 mass pct P2O5 System with Low Oxygen Partial Pressure at 1673 K (1400 °C) journal March 2012
Confocal Scanning Laser Microscopy Studies of Crystal Growth During Oxidation of a Liquid FeO-CaO-SiO2 Slag journal March 2011

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