Materials Data on MnCoB2 by Materials Project

doi:10.17188/1672976

Title: Materials Data on MnCoB2 by Materials Project

Dataset

Abstract

MnCoB2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.13–2.16 Å. Co4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Co–B bond distances ranging from 2.11–2.18 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Mn2+, three equivalent Co4+, and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Mn2+, four equivalent Co4+, and two equivalent B3- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1221680

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; MnCoB2; B-Co-Mn

OSTI Identifier:: 1672976

DOI:: https://doi.org/10.17188/1672976

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                    The Materials Project. Materials Data on MnCoB2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672976.

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                    The Materials Project. Materials Data on MnCoB2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672976

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                    The Materials Project. 2020.  
"Materials Data on MnCoB2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672976.  https://www.osti.gov/servlets/purl/1672976. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1672976,

  title        = {Materials Data on MnCoB2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnCoB2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.13–2.16 Å. Co4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Co–B bond distances ranging from 2.11–2.18 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Mn2+, three equivalent Co4+, and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Mn2+, four equivalent Co4+, and two equivalent B3- atoms.},

  doi          = {10.17188/1672976},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672976

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