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Title: Materials Data on AlCoO3 by Materials Project

Abstract

CoAlO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.76–2.43 Å. In the second Co3+ site, Co3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.73–2.47 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a distorted bent 150 degrees geometry to three O2- atoms. There are a spread of Al–O bond distances ranging from 1.12–2.49 Å. In the second Al3+ site, Al3+ is bonded in a distorted bent 150 degrees geometry to three O2- atoms. There are a spread of Al–O bond distances ranging from 1.15–2.38 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Co3+ and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Co3+ and one Al3+ atom. In the third O2- site, O2- is bonded in a 1-coordinatemore » geometry to two Co3+ and one Al3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Co3+ and one Al3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Co3+ and one Al3+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Co3+ and one Al3+ atom.« less

Publication Date:
Other Number(s):
mp-776216
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; AlCoO3; Al-Co-O
OSTI Identifier:
1304187
DOI:
https://doi.org/10.17188/1304187

Citation Formats

The Materials Project. Materials Data on AlCoO3 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1304187.
The Materials Project. Materials Data on AlCoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1304187
The Materials Project. 2014. "Materials Data on AlCoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1304187. https://www.osti.gov/servlets/purl/1304187. Pub date:Fri Feb 21 00:00:00 EST 2014
@article{osti_1304187,
title = {Materials Data on AlCoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CoAlO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.76–2.43 Å. In the second Co3+ site, Co3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.73–2.47 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a distorted bent 150 degrees geometry to three O2- atoms. There are a spread of Al–O bond distances ranging from 1.12–2.49 Å. In the second Al3+ site, Al3+ is bonded in a distorted bent 150 degrees geometry to three O2- atoms. There are a spread of Al–O bond distances ranging from 1.15–2.38 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Co3+ and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Co3+ and one Al3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Co3+ and one Al3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Co3+ and one Al3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Co3+ and one Al3+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Co3+ and one Al3+ atom.},
doi = {10.17188/1304187},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}