Materials Data on Ca3Ac by Materials Project

doi:10.17188/1743945

Title: Materials Data on Ca3Ac by Materials Project

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Abstract

Ca3Ac is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Ac atoms. All Ca–Ca bond lengths are 3.80 Å. All Ca–Ac bond lengths are 3.80 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight equivalent Ca and six equivalent Ac atoms. All Ca–Ac bond lengths are 4.38 Å. Ac is bonded in a distorted body-centered cubic geometry to fourteen Ca atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1183486

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; Ca3Ac; Ac-Ca

OSTI Identifier:: 1743945

DOI:: https://doi.org/10.17188/1743945

Citation Formats


                    The Materials Project. Materials Data on Ca3Ac by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743945.

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                    The Materials Project. Materials Data on Ca3Ac by Materials Project.  United States.  doi:https://doi.org/10.17188/1743945

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                    The Materials Project. 2020.  
"Materials Data on Ca3Ac by Materials Project".  United States.  doi:https://doi.org/10.17188/1743945.  https://www.osti.gov/servlets/purl/1743945. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1743945,

  title        = {Materials Data on Ca3Ac by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3Ac is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Ac atoms. All Ca–Ca bond lengths are 3.80 Å. All Ca–Ac bond lengths are 3.80 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight equivalent Ca and six equivalent Ac atoms. All Ca–Ac bond lengths are 4.38 Å. Ac is bonded in a distorted body-centered cubic geometry to fourteen Ca atoms.},

  doi          = {10.17188/1743945},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1743945

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