Materials Data on CaSmAl4 by Materials Project

doi:10.17188/1705443

Title: Materials Data on CaSmAl4 by Materials Project

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Abstract

CaSmAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Sm and twelve equivalent Al atoms. All Ca–Sm bond lengths are 3.46 Å. All Ca–Al bond lengths are 3.31 Å. Sm is bonded in a 12-coordinate geometry to four equivalent Ca and twelve equivalent Al atoms. All Sm–Al bond lengths are 3.31 Å. Al is bonded to three equivalent Ca, three equivalent Sm, and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlCa3Sm3Al6 cuboctahedra. All Al–Al bond lengths are 2.82 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1227030

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; CaSmAl4; Al-Ca-Sm

OSTI Identifier:: 1705443

DOI:: https://doi.org/10.17188/1705443

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                    The Materials Project. Materials Data on CaSmAl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705443.

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                    The Materials Project. Materials Data on CaSmAl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705443

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                    The Materials Project. 2020.  
"Materials Data on CaSmAl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705443.  https://www.osti.gov/servlets/purl/1705443. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1705443,

  title        = {Materials Data on CaSmAl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaSmAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Sm and twelve equivalent Al atoms. All Ca–Sm bond lengths are 3.46 Å. All Ca–Al bond lengths are 3.31 Å. Sm is bonded in a 12-coordinate geometry to four equivalent Ca and twelve equivalent Al atoms. All Sm–Al bond lengths are 3.31 Å. Al is bonded to three equivalent Ca, three equivalent Sm, and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlCa3Sm3Al6 cuboctahedra. All Al–Al bond lengths are 2.82 Å.},

  doi          = {10.17188/1705443},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1705443

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