Materials Data on Ca3In by Materials Project

doi:10.17188/1195724

Title: Materials Data on Ca3In by Materials Project

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Abstract

Ca3In 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 to four equivalent Ca and four equivalent In atoms to form a mixture of distorted corner, edge, and face-sharing CaCa4In4 tetrahedra. All Ca–Ca bond lengths are 3.50 Å. All Ca–In bond lengths are 3.50 Å. In the second Ca site, Ca is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-20581

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; Ca3In; Ca-In

OSTI Identifier:: 1195724

DOI:: https://doi.org/10.17188/1195724

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                    The Materials Project. Materials Data on Ca3In by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195724.

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                    The Materials Project. Materials Data on Ca3In by Materials Project.  United States.  doi:https://doi.org/10.17188/1195724

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                    The Materials Project. 2020.  
"Materials Data on Ca3In by Materials Project".  United States.  doi:https://doi.org/10.17188/1195724.  https://www.osti.gov/servlets/purl/1195724. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1195724,

  title        = {Materials Data on Ca3In by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3In 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 to four equivalent Ca and four equivalent In atoms to form a mixture of distorted corner, edge, and face-sharing CaCa4In4 tetrahedra. All Ca–Ca bond lengths are 3.50 Å. All Ca–In bond lengths are 3.50 Å. In the second Ca site, Ca is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.},

  doi          = {10.17188/1195724},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195724

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