Materials Data on RbCe3 by Materials Project

doi:10.17188/1685708

Title: Materials Data on RbCe3 by Materials Project

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Abstract

RbCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve Ce atoms to form RbCe12 cuboctahedra that share corners with four equivalent RbCe12 cuboctahedra, corners with eight equivalent CeRb4Ce8 cuboctahedra, edges with eight equivalent RbCe12 cuboctahedra, edges with sixteen equivalent CeRb4Ce8 cuboctahedra, faces with four equivalent RbCe12 cuboctahedra, and faces with fourteen CeRb4Ce8 cuboctahedra. There are four shorter (3.69 Å) and eight longer (3.70 Å) Rb–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Rb and eight Ce atoms to form CeRb4Ce8 cuboctahedra that share corners with twelve equivalent CeRb4Ce8 cuboctahedra, edges with eight equivalent RbCe12 cuboctahedra, edges with sixteen CeRb4Ce8 cuboctahedra, faces with four equivalent RbCe12 cuboctahedra, and faces with fourteen CeRb4Ce8 cuboctahedra. There are four shorter (3.69 Å) and four longer (3.70 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Rb and eight equivalent Ce atoms to form CeRb4Ce8 cuboctahedra that share corners with four equivalent CeRb4Ce8 cuboctahedra, corners with eight equivalent RbCe12 cuboctahedra, edges with twenty-four CeRb4Ce8 cuboctahedra, faces with six equivalent RbCe12 cuboctahedra, and faces withmore » twelve CeRb4Ce8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1186910

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; RbCe3; Ce-Rb

OSTI Identifier:: 1685708

DOI:: https://doi.org/10.17188/1685708

Citation Formats


                    The Materials Project. Materials Data on RbCe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685708.

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                    The Materials Project. Materials Data on RbCe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685708

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                    The Materials Project. 2020.  
"Materials Data on RbCe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685708.  https://www.osti.gov/servlets/purl/1685708. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685708,

  title        = {Materials Data on RbCe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve Ce atoms to form RbCe12 cuboctahedra that share corners with four equivalent RbCe12 cuboctahedra, corners with eight equivalent CeRb4Ce8 cuboctahedra, edges with eight equivalent RbCe12 cuboctahedra, edges with sixteen equivalent CeRb4Ce8 cuboctahedra, faces with four equivalent RbCe12 cuboctahedra, and faces with fourteen CeRb4Ce8 cuboctahedra. There are four shorter (3.69 Å) and eight longer (3.70 Å) Rb–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Rb and eight Ce atoms to form CeRb4Ce8 cuboctahedra that share corners with twelve equivalent CeRb4Ce8 cuboctahedra, edges with eight equivalent RbCe12 cuboctahedra, edges with sixteen CeRb4Ce8 cuboctahedra, faces with four equivalent RbCe12 cuboctahedra, and faces with fourteen CeRb4Ce8 cuboctahedra. There are four shorter (3.69 Å) and four longer (3.70 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Rb and eight equivalent Ce atoms to form CeRb4Ce8 cuboctahedra that share corners with four equivalent CeRb4Ce8 cuboctahedra, corners with eight equivalent RbCe12 cuboctahedra, edges with twenty-four CeRb4Ce8 cuboctahedra, faces with six equivalent RbCe12 cuboctahedra, and faces with twelve CeRb4Ce8 cuboctahedra.},

  doi          = {10.17188/1685708},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685708

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