Materials Data on NdMnSi2 by Materials Project

doi:10.17188/1313310

Title: Materials Data on NdMnSi2 by Materials Project

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Abstract

NdMnSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to four equivalent Mn and ten Si atoms. There are two shorter (3.29 Å) and two longer (3.32 Å) Nd–Mn bond lengths. There are a spread of Nd–Si bond distances ranging from 3.07–3.17 Å. Mn is bonded to four equivalent Nd and four equivalent Si atoms to form a mixture of distorted edge and face-sharing MnNd4Si4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.40 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Mn, and one Si atom. The Si–Si bond length is 2.49 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three Si atoms. Both Si–Si bond lengths are 2.37 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-9527

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; NdMnSi2; Mn-Nd-Si

OSTI Identifier:: 1313310

DOI:: https://doi.org/10.17188/1313310

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                    The Materials Project. Materials Data on NdMnSi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313310.

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                    The Materials Project. Materials Data on NdMnSi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313310

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                    The Materials Project. 2020.  
"Materials Data on NdMnSi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313310.  https://www.osti.gov/servlets/purl/1313310. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1313310,

  title        = {Materials Data on NdMnSi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdMnSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to four equivalent Mn and ten Si atoms. There are two shorter (3.29 Å) and two longer (3.32 Å) Nd–Mn bond lengths. There are a spread of Nd–Si bond distances ranging from 3.07–3.17 Å. Mn is bonded to four equivalent Nd and four equivalent Si atoms to form a mixture of distorted edge and face-sharing MnNd4Si4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.40 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Mn, and one Si atom. The Si–Si bond length is 2.49 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three Si atoms. Both Si–Si bond lengths are 2.37 Å.},

  doi          = {10.17188/1313310},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313310

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