Materials Data on Sr3Ce by Materials Project

doi:10.17188/1748747

Title: Materials Data on Sr3Ce by Materials Project

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Abstract

Sr3Ce is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Ce atoms to form distorted SrSr8Ce4 cuboctahedra that share corners with four equivalent CeSr12 cuboctahedra, corners with fourteen equivalent SrSr8Ce4 cuboctahedra, edges with six equivalent CeSr12 cuboctahedra, edges with twelve equivalent SrSr8Ce4 cuboctahedra, faces with four equivalent CeSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Ce4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 4.00–4.19 Å. There are two shorter (3.98 Å) and two longer (4.10 Å) Sr–Ce bond lengths. Ce is bonded to twelve equivalent Sr atoms to form CeSr12 cuboctahedra that share corners with six equivalent CeSr12 cuboctahedra, corners with twelve equivalent SrSr8Ce4 cuboctahedra, edges with eighteen equivalent SrSr8Ce4 cuboctahedra, faces with eight equivalent CeSr12 cuboctahedra, and faces with twelve equivalent SrSr8Ce4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1187237

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; Sr3Ce; Ce-Sr

OSTI Identifier:: 1748747

DOI:: https://doi.org/10.17188/1748747

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                    The Materials Project. Materials Data on Sr3Ce by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748747.

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                    The Materials Project. Materials Data on Sr3Ce by Materials Project.  United States.  doi:https://doi.org/10.17188/1748747

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                    The Materials Project. 2020.  
"Materials Data on Sr3Ce by Materials Project".  United States.  doi:https://doi.org/10.17188/1748747.  https://www.osti.gov/servlets/purl/1748747. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1748747,

  title        = {Materials Data on Sr3Ce by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3Ce is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Ce atoms to form distorted SrSr8Ce4 cuboctahedra that share corners with four equivalent CeSr12 cuboctahedra, corners with fourteen equivalent SrSr8Ce4 cuboctahedra, edges with six equivalent CeSr12 cuboctahedra, edges with twelve equivalent SrSr8Ce4 cuboctahedra, faces with four equivalent CeSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Ce4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 4.00–4.19 Å. There are two shorter (3.98 Å) and two longer (4.10 Å) Sr–Ce bond lengths. Ce is bonded to twelve equivalent Sr atoms to form CeSr12 cuboctahedra that share corners with six equivalent CeSr12 cuboctahedra, corners with twelve equivalent SrSr8Ce4 cuboctahedra, edges with eighteen equivalent SrSr8Ce4 cuboctahedra, faces with eight equivalent CeSr12 cuboctahedra, and faces with twelve equivalent SrSr8Ce4 cuboctahedra.},

  doi          = {10.17188/1748747},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748747

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