Materials Data on NdFeSi by Materials Project

doi:10.17188/1721889

Title: Materials Data on NdFeSi by Materials Project

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Abstract

NdFeSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd2+ is bonded in a 1-coordinate geometry to five equivalent Fe2+ and six equivalent Si4- atoms. There are a spread of Nd–Fe bond distances ranging from 2.77–3.08 Å. There are a spread of Nd–Si bond distances ranging from 3.19–3.25 Å. Fe2+ is bonded in a 5-coordinate geometry to five equivalent Nd2+ and four equivalent Si4- atoms. There are two shorter (2.42 Å) and two longer (2.43 Å) Fe–Si bond lengths. Si4- is bonded to six equivalent Nd2+, four equivalent Fe2+, and two equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing SiNd6Fe4Si2 cuboctahedra. Both Si–Si bond lengths are 2.58 Å.

Authors:: The Materials Project

Publication Date:: Wed Oct 23 00:00:00 EDT 2019

Other Number(s):: mp-1095512

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; NdFeSi; Fe-Nd-Si

OSTI Identifier:: 1721889

DOI:: https://doi.org/10.17188/1721889

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                    The Materials Project. Materials Data on NdFeSi by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1721889.

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                    The Materials Project. Materials Data on NdFeSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1721889

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                    The Materials Project. 2019.  
"Materials Data on NdFeSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1721889.  https://www.osti.gov/servlets/purl/1721889. Pub date:Wed Oct 23 00:00:00 EDT 2019

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@article{osti_1721889,

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

  author       = {The Materials Project},

  abstractNote = {NdFeSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd2+ is bonded in a 1-coordinate geometry to five equivalent Fe2+ and six equivalent Si4- atoms. There are a spread of Nd–Fe bond distances ranging from 2.77–3.08 Å. There are a spread of Nd–Si bond distances ranging from 3.19–3.25 Å. Fe2+ is bonded in a 5-coordinate geometry to five equivalent Nd2+ and four equivalent Si4- atoms. There are two shorter (2.42 Å) and two longer (2.43 Å) Fe–Si bond lengths. Si4- is bonded to six equivalent Nd2+, four equivalent Fe2+, and two equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing SiNd6Fe4Si2 cuboctahedra. Both Si–Si bond lengths are 2.58 Å.},

  doi          = {10.17188/1721889},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Oct 23 00:00:00 EDT 2019},

  month        = {Wed Oct 23 00:00:00 EDT 2019}

}

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DOI: https://doi.org/10.17188/1721889

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