Materials Data on RbCa3 by Materials Project

doi:10.17188/1314787

Title: Materials Data on RbCa3 by Materials Project

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Abstract

RbCa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb is bonded in a body-centered cubic geometry to fourteen Ca atoms. There are eight shorter (4.01 Å) and six longer (4.63 Å) Rb–Ca bond lengths. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a body-centered cubic geometry to four equivalent Rb and four equivalent Ca atoms. All Ca–Ca bond lengths are 4.01 Å. In the second Ca site, Ca is bonded in a distorted body-centered cubic geometry to six equivalent Rb and eight equivalent Ca atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-975390

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; RbCa3; Ca-Rb

OSTI Identifier:: 1314787

DOI:: https://doi.org/10.17188/1314787

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                    The Materials Project. Materials Data on RbCa3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314787.

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                    The Materials Project. Materials Data on RbCa3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314787

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                    The Materials Project. 2020.  
"Materials Data on RbCa3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314787.  https://www.osti.gov/servlets/purl/1314787. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1314787,

  title        = {Materials Data on RbCa3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbCa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb is bonded in a body-centered cubic geometry to fourteen Ca atoms. There are eight shorter (4.01 Å) and six longer (4.63 Å) Rb–Ca bond lengths. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a body-centered cubic geometry to four equivalent Rb and four equivalent Ca atoms. All Ca–Ca bond lengths are 4.01 Å. In the second Ca site, Ca is bonded in a distorted body-centered cubic geometry to six equivalent Rb and eight equivalent Ca atoms.},

  doi          = {10.17188/1314787},

  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/10.17188/1314787

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