Materials Data on La3Sc by Materials Project

doi:10.17188/1705632

Title: Materials Data on La3Sc by Materials Project

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Abstract

La3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to eight La and four equivalent Sc atoms to form LaLa8Sc4 cuboctahedra that share corners with twelve equivalent LaLa8Sc4 cuboctahedra, edges with eight equivalent ScLa12 cuboctahedra, edges with sixteen LaLa8Sc4 cuboctahedra, faces with four equivalent ScLa12 cuboctahedra, and faces with fourteen LaLa8Sc4 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.64 Å) La–La bond lengths. All La–Sc bond lengths are 3.64 Å. In the second La site, La is bonded to eight equivalent La and four equivalent Sc atoms to form LaLa8Sc4 cuboctahedra that share corners with four equivalent LaLa8Sc4 cuboctahedra, corners with eight equivalent ScLa12 cuboctahedra, edges with twenty-four LaLa8Sc4 cuboctahedra, faces with six equivalent ScLa12 cuboctahedra, and faces with twelve LaLa8Sc4 cuboctahedra. All La–Sc bond lengths are 3.59 Å. Sc is bonded to twelve La atoms to form ScLa12 cuboctahedra that share corners with four equivalent ScLa12 cuboctahedra, corners with eight equivalent LaLa8Sc4 cuboctahedra, edges with eight equivalent ScLa12 cuboctahedra, edges with sixteen equivalent LaLa8Sc4 cuboctahedra, faces with four equivalent ScLa12 cuboctahedra, and faces withmore » fourteen LaLa8Sc4 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1185096

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; La3Sc; La-Sc

OSTI Identifier:: 1705632

DOI:: https://doi.org/10.17188/1705632

Citation Formats


                    The Materials Project. Materials Data on La3Sc by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705632.

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                    The Materials Project. Materials Data on La3Sc by Materials Project.  United States.  doi:https://doi.org/10.17188/1705632

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                    The Materials Project. 2020.  
"Materials Data on La3Sc by Materials Project".  United States.  doi:https://doi.org/10.17188/1705632.  https://www.osti.gov/servlets/purl/1705632. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1705632,

  title        = {Materials Data on La3Sc by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to eight La and four equivalent Sc atoms to form LaLa8Sc4 cuboctahedra that share corners with twelve equivalent LaLa8Sc4 cuboctahedra, edges with eight equivalent ScLa12 cuboctahedra, edges with sixteen LaLa8Sc4 cuboctahedra, faces with four equivalent ScLa12 cuboctahedra, and faces with fourteen LaLa8Sc4 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.64 Å) La–La bond lengths. All La–Sc bond lengths are 3.64 Å. In the second La site, La is bonded to eight equivalent La and four equivalent Sc atoms to form LaLa8Sc4 cuboctahedra that share corners with four equivalent LaLa8Sc4 cuboctahedra, corners with eight equivalent ScLa12 cuboctahedra, edges with twenty-four LaLa8Sc4 cuboctahedra, faces with six equivalent ScLa12 cuboctahedra, and faces with twelve LaLa8Sc4 cuboctahedra. All La–Sc bond lengths are 3.59 Å. Sc is bonded to twelve La atoms to form ScLa12 cuboctahedra that share corners with four equivalent ScLa12 cuboctahedra, corners with eight equivalent LaLa8Sc4 cuboctahedra, edges with eight equivalent ScLa12 cuboctahedra, edges with sixteen equivalent LaLa8Sc4 cuboctahedra, faces with four equivalent ScLa12 cuboctahedra, and faces with fourteen LaLa8Sc4 cuboctahedra.},

  doi          = {10.17188/1705632},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1705632

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