Materials Data on Ce3Sc by Materials Project

doi:10.17188/1738365

Title: Materials Data on Ce3Sc by Materials Project

Dataset
Other Related Research

Abstract

Ce3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to eight equivalent Ce and four equivalent Sc atoms to form distorted CeCe8Sc4 cuboctahedra that share corners with four equivalent ScCe12 cuboctahedra, corners with fourteen equivalent CeCe8Sc4 cuboctahedra, edges with six equivalent ScCe12 cuboctahedra, edges with twelve equivalent CeCe8Sc4 cuboctahedra, faces with four equivalent ScCe12 cuboctahedra, and faces with sixteen equivalent CeCe8Sc4 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.29–3.53 Å. There are two shorter (3.38 Å) and two longer (3.41 Å) Ce–Sc bond lengths. Sc is bonded to twelve equivalent Ce atoms to form ScCe12 cuboctahedra that share corners with six equivalent ScCe12 cuboctahedra, corners with twelve equivalent CeCe8Sc4 cuboctahedra, edges with eighteen equivalent CeCe8Sc4 cuboctahedra, faces with eight equivalent ScCe12 cuboctahedra, and faces with twelve equivalent CeCe8Sc4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1183874

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; Ce3Sc; Ce-Sc

OSTI Identifier:: 1738365

DOI:: https://doi.org/10.17188/1738365

Citation Formats


                    The Materials Project. Materials Data on Ce3Sc by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738365.

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                    The Materials Project. Materials Data on Ce3Sc by Materials Project.  United States.  doi:https://doi.org/10.17188/1738365

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                    The Materials Project. 2020.  
"Materials Data on Ce3Sc by Materials Project".  United States.  doi:https://doi.org/10.17188/1738365.  https://www.osti.gov/servlets/purl/1738365. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1738365,

  title        = {Materials Data on Ce3Sc by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to eight equivalent Ce and four equivalent Sc atoms to form distorted CeCe8Sc4 cuboctahedra that share corners with four equivalent ScCe12 cuboctahedra, corners with fourteen equivalent CeCe8Sc4 cuboctahedra, edges with six equivalent ScCe12 cuboctahedra, edges with twelve equivalent CeCe8Sc4 cuboctahedra, faces with four equivalent ScCe12 cuboctahedra, and faces with sixteen equivalent CeCe8Sc4 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.29–3.53 Å. There are two shorter (3.38 Å) and two longer (3.41 Å) Ce–Sc bond lengths. Sc is bonded to twelve equivalent Ce atoms to form ScCe12 cuboctahedra that share corners with six equivalent ScCe12 cuboctahedra, corners with twelve equivalent CeCe8Sc4 cuboctahedra, edges with eighteen equivalent CeCe8Sc4 cuboctahedra, faces with eight equivalent ScCe12 cuboctahedra, and faces with twelve equivalent CeCe8Sc4 cuboctahedra.},

  doi          = {10.17188/1738365},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1738365

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