Materials Data on Ce2Al3Sn by Materials Project

doi:10.17188/1680237

Title: Materials Data on Ce2Al3Sn by Materials Project

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Abstract

Ce2Al3Sn is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to ten Al and two equivalent Sn atoms to form a mixture of edge and face-sharing CeAl10Sn2 cuboctahedra. There are a spread of Ce–Al bond distances ranging from 3.23–3.32 Å. Both Ce–Sn bond lengths are 3.37 Å. In the second Ce site, Ce is bonded to eight Al and four equivalent Sn atoms to form a mixture of edge and face-sharing CeAl8Sn4 cuboctahedra. There are a spread of Ce–Al bond distances ranging from 3.28–3.44 Å. All Ce–Sn bond lengths are 3.33 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six Ce and three Al atoms. There are one shorter (2.51 Å) and two longer (2.54 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to six Ce, one Al, and two equivalent Sn atoms. Both Al–Sn bond lengths are 2.66 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to six Ce, two equivalent Al,more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1226862

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; Ce2Al3Sn; Al-Ce-Sn

OSTI Identifier:: 1680237

DOI:: https://doi.org/10.17188/1680237

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                    The Materials Project. Materials Data on Ce2Al3Sn by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1680237.

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                    The Materials Project. Materials Data on Ce2Al3Sn by Materials Project.  United States.  doi:https://doi.org/10.17188/1680237

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                    The Materials Project. 2019.  
"Materials Data on Ce2Al3Sn by Materials Project".  United States.  doi:https://doi.org/10.17188/1680237.  https://www.osti.gov/servlets/purl/1680237. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1680237,

  title        = {Materials Data on Ce2Al3Sn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2Al3Sn is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to ten Al and two equivalent Sn atoms to form a mixture of edge and face-sharing CeAl10Sn2 cuboctahedra. There are a spread of Ce–Al bond distances ranging from 3.23–3.32 Å. Both Ce–Sn bond lengths are 3.37 Å. In the second Ce site, Ce is bonded to eight Al and four equivalent Sn atoms to form a mixture of edge and face-sharing CeAl8Sn4 cuboctahedra. There are a spread of Ce–Al bond distances ranging from 3.28–3.44 Å. All Ce–Sn bond lengths are 3.33 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six Ce and three Al atoms. There are one shorter (2.51 Å) and two longer (2.54 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to six Ce, one Al, and two equivalent Sn atoms. Both Al–Sn bond lengths are 2.66 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to six Ce, two equivalent Al, and one Sn atom. The Al–Sn bond length is 2.67 Å. Sn is bonded in a 3-coordinate geometry to six Ce and three Al atoms.},

  doi          = {10.17188/1680237},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1680237

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