Materials Data on SmY3 by Materials Project

doi:10.17188/1313862

Title: Materials Data on SmY3 by Materials Project

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Abstract

SmY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Y atoms to form SmY12 cuboctahedra that share corners with four equivalent SmY12 cuboctahedra, corners with eight equivalent YSm4Y8 cuboctahedra, edges with eight equivalent SmY12 cuboctahedra, edges with sixteen equivalent YSm4Y8 cuboctahedra, faces with four equivalent SmY12 cuboctahedra, and faces with fourteen YSm4Y8 cuboctahedra. There are four shorter (3.59 Å) and eight longer (3.60 Å) Sm–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Sm and eight Y atoms to form YSm4Y8 cuboctahedra that share corners with twelve equivalent YSm4Y8 cuboctahedra, edges with eight equivalent SmY12 cuboctahedra, edges with sixteen YSm4Y8 cuboctahedra, faces with four equivalent SmY12 cuboctahedra, and faces with fourteen YSm4Y8 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.60 Å) Y–Y bond lengths. In the second Y site, Y is bonded to four equivalent Sm and eight equivalent Y atoms to form YSm4Y8 cuboctahedra that share corners with four equivalent YSm4Y8 cuboctahedra, corners with eight equivalent SmY12 cuboctahedra, edges with twenty-four YSm4Y8 cuboctahedra, faces with six equivalent SmY12 cuboctahedra, and faces withmore » twelve YSm4Y8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-972517

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; SmY3; Sm-Y

OSTI Identifier:: 1313862

DOI:: https://doi.org/10.17188/1313862

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                    The Materials Project. Materials Data on SmY3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313862.

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                    The Materials Project. Materials Data on SmY3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313862

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                    The Materials Project. 2020.  
"Materials Data on SmY3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313862.  https://www.osti.gov/servlets/purl/1313862. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1313862,

  title        = {Materials Data on SmY3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Y atoms to form SmY12 cuboctahedra that share corners with four equivalent SmY12 cuboctahedra, corners with eight equivalent YSm4Y8 cuboctahedra, edges with eight equivalent SmY12 cuboctahedra, edges with sixteen equivalent YSm4Y8 cuboctahedra, faces with four equivalent SmY12 cuboctahedra, and faces with fourteen YSm4Y8 cuboctahedra. There are four shorter (3.59 Å) and eight longer (3.60 Å) Sm–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Sm and eight Y atoms to form YSm4Y8 cuboctahedra that share corners with twelve equivalent YSm4Y8 cuboctahedra, edges with eight equivalent SmY12 cuboctahedra, edges with sixteen YSm4Y8 cuboctahedra, faces with four equivalent SmY12 cuboctahedra, and faces with fourteen YSm4Y8 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.60 Å) Y–Y bond lengths. In the second Y site, Y is bonded to four equivalent Sm and eight equivalent Y atoms to form YSm4Y8 cuboctahedra that share corners with four equivalent YSm4Y8 cuboctahedra, corners with eight equivalent SmY12 cuboctahedra, edges with twenty-four YSm4Y8 cuboctahedra, faces with six equivalent SmY12 cuboctahedra, and faces with twelve YSm4Y8 cuboctahedra.},

  doi          = {10.17188/1313862},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313862

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