Materials Data on KCaBi by Materials Project

doi:10.17188/1301610

Title: Materials Data on KCaBi by Materials Project

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Abstract

KCaBi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to five equivalent Bi atoms. There are one shorter (3.63 Å) and four longer (4.06 Å) K–Bi bond lengths. Ca is bonded to four equivalent Bi atoms to form a mixture of edge and corner-sharing CaBi4 tetrahedra. All Ca–Bi bond lengths are 3.25 Å. Bi is bonded in a 9-coordinate geometry to five equivalent K and four equivalent Ca atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-773137

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; KCaBi; Bi-Ca-K

OSTI Identifier:: 1301610

DOI:: https://doi.org/10.17188/1301610

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                    The Materials Project. Materials Data on KCaBi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1301610.

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                    The Materials Project. Materials Data on KCaBi by Materials Project.  United States.  doi:https://doi.org/10.17188/1301610

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                    The Materials Project. 2020.  
"Materials Data on KCaBi by Materials Project".  United States.  doi:https://doi.org/10.17188/1301610.  https://www.osti.gov/servlets/purl/1301610. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1301610,

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

  author       = {The Materials Project},

  abstractNote = {KCaBi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to five equivalent Bi atoms. There are one shorter (3.63 Å) and four longer (4.06 Å) K–Bi bond lengths. Ca is bonded to four equivalent Bi atoms to form a mixture of edge and corner-sharing CaBi4 tetrahedra. All Ca–Bi bond lengths are 3.25 Å. Bi is bonded in a 9-coordinate geometry to five equivalent K and four equivalent Ca atoms.},

  doi          = {10.17188/1301610},

  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/10.17188/1301610

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