Materials Data on Ce2Al2Co15 by Materials Project

doi:10.17188/1191896

Title: Materials Data on Ce2Al2Co15 by Materials Project

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Abstract

Ce2Al2Co15 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 3-coordinate geometry to fifteen Co and one Al atom. There are a spread of Ce–Co bond distances ranging from 2.88–3.17 Å. The Ce–Al bond length is 3.06 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ce, eight Co, and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing CoCe2Al2Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.59 Å. Both Co–Al bond lengths are 2.72 Å. In the second Co site, Co is bonded to three equivalent Ce, eight Co, and one Al atom to form a mixture of distorted corner, edge, and face-sharing CoCe3AlCo8 cuboctahedra. There are two shorter (2.41 Å) and two longer (2.46 Å) Co–Co bond lengths. The Co–Al bond length is 2.59 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to eight Co and two equivalent Al atoms. Both Co–Al bond lengths are 2.52 Å. Al is bonded in a 6-coordinate geometry to one Ce, twelve Co, and one Al atom. The Al–Al bond length ismore » 2.60 Å.« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-16484

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; Ce2Al2Co15; Al-Ce-Co

OSTI Identifier:: 1191896

DOI:: https://doi.org/10.17188/1191896

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                    The Materials Project. Materials Data on Ce2Al2Co15 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191896.

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                    The Materials Project. Materials Data on Ce2Al2Co15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191896

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                    The Materials Project. 2020.  
"Materials Data on Ce2Al2Co15 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191896.  https://www.osti.gov/servlets/purl/1191896. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1191896,

  title        = {Materials Data on Ce2Al2Co15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2Al2Co15 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 3-coordinate geometry to fifteen Co and one Al atom. There are a spread of Ce–Co bond distances ranging from 2.88–3.17 Å. The Ce–Al bond length is 3.06 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ce, eight Co, and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing CoCe2Al2Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.59 Å. Both Co–Al bond lengths are 2.72 Å. In the second Co site, Co is bonded to three equivalent Ce, eight Co, and one Al atom to form a mixture of distorted corner, edge, and face-sharing CoCe3AlCo8 cuboctahedra. There are two shorter (2.41 Å) and two longer (2.46 Å) Co–Co bond lengths. The Co–Al bond length is 2.59 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to eight Co and two equivalent Al atoms. Both Co–Al bond lengths are 2.52 Å. Al is bonded in a 6-coordinate geometry to one Ce, twelve Co, and one Al atom. The Al–Al bond length is 2.60 Å.},

  doi          = {10.17188/1191896},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191896

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