Materials Data on BaMnSi2 by Materials Project

doi:10.17188/1281785

Title: Materials Data on BaMnSi2 by Materials Project

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Abstract

BaMnSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to one Mn and nine Si atoms. The Ba–Mn bond length is 3.31 Å. There are a spread of Ba–Si bond distances ranging from 3.39–3.74 Å. Mn is bonded in a 5-coordinate geometry to one Ba and four Si atoms. There are two shorter (2.15 Å) and two longer (2.23 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Mn atoms. In the second Si site, Si is bonded in a 2-coordinate geometry to five equivalent Ba and two equivalent Mn atoms.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-672226

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; BaMnSi2; Ba-Mn-Si

OSTI Identifier:: 1281785

DOI:: https://doi.org/10.17188/1281785

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                    The Materials Project. Materials Data on BaMnSi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281785.

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                    The Materials Project. Materials Data on BaMnSi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281785

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                    The Materials Project. 2020.  
"Materials Data on BaMnSi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281785.  https://www.osti.gov/servlets/purl/1281785. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1281785,

  title        = {Materials Data on BaMnSi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaMnSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to one Mn and nine Si atoms. The Ba–Mn bond length is 3.31 Å. There are a spread of Ba–Si bond distances ranging from 3.39–3.74 Å. Mn is bonded in a 5-coordinate geometry to one Ba and four Si atoms. There are two shorter (2.15 Å) and two longer (2.23 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Mn atoms. In the second Si site, Si is bonded in a 2-coordinate geometry to five equivalent Ba and two equivalent Mn atoms.},

  doi          = {10.17188/1281785},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281785

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