Materials Data on AlCoO3 by Materials Project

doi:10.17188/1304187

Title: Materials Data on AlCoO3 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2014-02-21

Other Number(s):: mp-776216

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; AlCoO3; Al-Co-O

OSTI Identifier:: 1304187

DOI:: https://doi.org/10.17188/1304187

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                    The Materials Project. Materials Data on AlCoO3 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1304187.

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                    The Materials Project. Materials Data on AlCoO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1304187

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                    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

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@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}

}

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