Materials Data on La2Al3Sn by Materials Project

doi:10.17188/1738005

Title: Materials Data on La2Al3Sn by Materials Project

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Abstract

La2Al3Sn is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to ten Al and two equivalent Sn atoms to form a mixture of edge and face-sharing LaAl10Sn2 cuboctahedra. There are a spread of La–Al bond distances ranging from 3.34–3.43 Å. Both La–Sn bond lengths are 3.46 Å. In the second La site, La is bonded to eight Al and four equivalent Sn atoms to form a mixture of edge and face-sharing LaAl8Sn4 cuboctahedra. There are a spread of La–Al bond distances ranging from 3.38–3.52 Å. All La–Sn bond lengths are 3.43 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six La and three Al atoms. There are one shorter (2.54 Å) and two longer (2.55 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to six La, one Al, and two equivalent Sn atoms. Both Al–Sn bond lengths are 2.67 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to six La, two equivalent Al,more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1223225

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; La2Al3Sn; Al-La-Sn

OSTI Identifier:: 1738005

DOI:: https://doi.org/10.17188/1738005

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                    The Materials Project. Materials Data on La2Al3Sn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738005.

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                    The Materials Project. Materials Data on La2Al3Sn by Materials Project.  United States.  doi:https://doi.org/10.17188/1738005

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                    The Materials Project. 2020.  
"Materials Data on La2Al3Sn by Materials Project".  United States.  doi:https://doi.org/10.17188/1738005.  https://www.osti.gov/servlets/purl/1738005. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1738005,

  title        = {Materials Data on La2Al3Sn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2Al3Sn is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to ten Al and two equivalent Sn atoms to form a mixture of edge and face-sharing LaAl10Sn2 cuboctahedra. There are a spread of La–Al bond distances ranging from 3.34–3.43 Å. Both La–Sn bond lengths are 3.46 Å. In the second La site, La is bonded to eight Al and four equivalent Sn atoms to form a mixture of edge and face-sharing LaAl8Sn4 cuboctahedra. There are a spread of La–Al bond distances ranging from 3.38–3.52 Å. All La–Sn bond lengths are 3.43 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six La and three Al atoms. There are one shorter (2.54 Å) and two longer (2.55 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to six La, one Al, and two equivalent Sn atoms. Both Al–Sn bond lengths are 2.67 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to six La, 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 La and three Al atoms.},

  doi          = {10.17188/1738005},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738005

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