Materials Data on Nd2Fe2Si2C by Materials Project

doi:10.17188/1281454

Title: Materials Data on Nd2Fe2Si2C by Materials Project

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Abstract

Nd2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Nd–Si bond distances ranging from 3.04–3.19 Å. Both Nd–C bond lengths are 2.67 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.30 Å) and one longer (2.31 Å) Fe–Si bond lengths. The Fe–C bond length is 1.80 Å. Si4- is bonded in a 8-coordinate geometry to five equivalent Nd3+ and three equivalent Fe3+ atoms. C4- is bonded to four equivalent Nd3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CNd4Fe2 octahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-6638

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; Nd2Fe2Si2C; C-Fe-Nd-Si

OSTI Identifier:: 1281454

DOI:: https://doi.org/10.17188/1281454

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                    The Materials Project. Materials Data on Nd2Fe2Si2C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281454.

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                    The Materials Project. Materials Data on Nd2Fe2Si2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1281454

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                    The Materials Project. 2020.  
"Materials Data on Nd2Fe2Si2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1281454.  https://www.osti.gov/servlets/purl/1281454. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1281454,

  title        = {Materials Data on Nd2Fe2Si2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Nd–Si bond distances ranging from 3.04–3.19 Å. Both Nd–C bond lengths are 2.67 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.30 Å) and one longer (2.31 Å) Fe–Si bond lengths. The Fe–C bond length is 1.80 Å. Si4- is bonded in a 8-coordinate geometry to five equivalent Nd3+ and three equivalent Fe3+ atoms. C4- is bonded to four equivalent Nd3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CNd4Fe2 octahedra.},

  doi          = {10.17188/1281454},

  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/10.17188/1281454

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