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Title: Materials Data on CaFeO2 by Materials Project

Abstract

CaFeO2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–65°. There are a spread of Ca–O bond distances ranging from 2.34–2.57 Å. Fe2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Fe–O bond lengths are 2.04 Å. O2- is bonded to three equivalent Ca2+ and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing OCa3Fe2 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1079680
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; CaFeO2; Ca-Fe-O
OSTI Identifier:
1743929
DOI:
https://doi.org/10.17188/1743929

Citation Formats

The Materials Project. Materials Data on CaFeO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743929.
The Materials Project. Materials Data on CaFeO2 by Materials Project. United States. doi:https://doi.org/10.17188/1743929
The Materials Project. 2020. "Materials Data on CaFeO2 by Materials Project". United States. doi:https://doi.org/10.17188/1743929. https://www.osti.gov/servlets/purl/1743929. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1743929,
title = {Materials Data on CaFeO2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaFeO2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–65°. There are a spread of Ca–O bond distances ranging from 2.34–2.57 Å. Fe2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Fe–O bond lengths are 2.04 Å. O2- is bonded to three equivalent Ca2+ and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing OCa3Fe2 trigonal bipyramids.},
doi = {10.17188/1743929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}