Materials Data on Al3Co by Materials Project

doi:10.17188/1691332

Title: Materials Data on Al3Co by Materials Project

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Abstract

Al3Co crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.71 Å. In the second Co site, Co is bonded in a 7-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.36–2.92 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.39–2.84 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.36–2.75 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to three Co and one Al atom. The Al–Al bond length is 2.65 Å. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to three Co atoms. In the third Al site, Al is bonded in a distorted trigonal planar geometry to threemore »« less

Publication Date:: 2019-01-12

Other Number(s):: mp-1228607

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Al-Co; Al3Co; crystal structure

OSTI Identifier:: 1691332

DOI:: https://doi.org/10.17188/1691332

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                    Materials Data on Al3Co by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1691332.

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                    Materials Data on Al3Co by Materials Project.  United States.  doi:https://doi.org/10.17188/1691332

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                    2019.  
"Materials Data on Al3Co by Materials Project".  United States.  doi:https://doi.org/10.17188/1691332.  https://www.osti.gov/servlets/purl/1691332. Pub date:Sat Jan 12 19:00:00 EST 2019

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@article{osti_1691332,

  title        = {Materials Data on Al3Co by Materials Project},

  
  abstractNote = {Al3Co crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.33–2.71 Å. In the second Co site, Co is bonded in a 7-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.36–2.92 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.39–2.84 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.36–2.75 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to three Co and one Al atom. The Al–Al bond length is 2.65 Å. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to three Co atoms. In the third Al site, Al is bonded in a distorted trigonal planar geometry to three Co atoms. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.68 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.66 Å. In the sixth Al site, Al is bonded in a 3-coordinate geometry to four Co and six Al atoms. The Al–Al bond length is 2.70 Å. In the seventh Al site, Al is bonded in a 12-coordinate geometry to four Co atoms. In the eighth Al site, Al is bonded in a 1-coordinate geometry to three Co atoms. In the ninth Al site, Al is bonded in a 1-coordinate geometry to three Co atoms. In the tenth Al site, Al is bonded in a 3-coordinate geometry to three Co and one Al atom. In the eleventh Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the twelfth Al site, Al is bonded in a distorted linear geometry to two Co atoms.},

  doi          = {10.17188/1691332},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1691332

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