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Title: Materials Data on FeCO3 by Materials Project

Abstract

FeCO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Fe–O bond lengths are 2.17 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe2+ and one C4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-18969
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; FeCO3; C-Fe-O
OSTI Identifier:
1193744
DOI:
https://doi.org/10.17188/1193744

Citation Formats

The Materials Project. Materials Data on FeCO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193744.
The Materials Project. Materials Data on FeCO3 by Materials Project. United States. doi:https://doi.org/10.17188/1193744
The Materials Project. 2020. "Materials Data on FeCO3 by Materials Project". United States. doi:https://doi.org/10.17188/1193744. https://www.osti.gov/servlets/purl/1193744. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1193744,
title = {Materials Data on FeCO3 by Materials Project},
author = {The Materials Project},
abstractNote = {FeCO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Fe–O bond lengths are 2.17 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe2+ and one C4+ atom.},
doi = {10.17188/1193744},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}