Materials Data on Co3Cl by Materials Project

doi:10.17188/1689689

Title: Materials Data on Co3Cl by Materials Project

Dataset

Abstract

Co3Cl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Co and four equivalent Cl atoms to form a mixture of distorted face, edge, and corner-sharing CoCo4Cl4 tetrahedra. All Co–Co bond lengths are 2.54 Å. All Co–Cl bond lengths are 2.54 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to eight equivalent Co and six equivalent Cl atoms. All Co–Cl bond lengths are 2.93 Å. Cl is bonded in a distorted body-centered cubic geometry to fourteen Co atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1183689

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; Co3Cl; Cl-Co

OSTI Identifier:: 1689689

DOI:: https://doi.org/10.17188/1689689

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                    The Materials Project. Materials Data on Co3Cl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689689.

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                    The Materials Project. Materials Data on Co3Cl by Materials Project.  United States.  doi:https://doi.org/10.17188/1689689

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                    The Materials Project. 2020.  
"Materials Data on Co3Cl by Materials Project".  United States.  doi:https://doi.org/10.17188/1689689.  https://www.osti.gov/servlets/purl/1689689. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1689689,

  title        = {Materials Data on Co3Cl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co3Cl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Co and four equivalent Cl atoms to form a mixture of distorted face, edge, and corner-sharing CoCo4Cl4 tetrahedra. All Co–Co bond lengths are 2.54 Å. All Co–Cl bond lengths are 2.54 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to eight equivalent Co and six equivalent Cl atoms. All Co–Cl bond lengths are 2.93 Å. Cl is bonded in a distorted body-centered cubic geometry to fourteen Co atoms.},

  doi          = {10.17188/1689689},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1689689

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