Materials Data on NdSi3Rh by Materials Project

doi:10.17188/1678056

Title: Materials Data on NdSi3Rh by Materials Project

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Abstract

NdRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are four shorter (3.37 Å) and one longer (3.41 Å) Nd–Rh bond lengths. There are a spread of Nd–Si bond distances ranging from 3.12–3.36 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Nd and five Si atoms. There are four shorter (2.37 Å) and one longer (2.39 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Nd, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.60 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Nd, two equivalent Rh, and two equivalent Si atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1070321

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; NdSi3Rh; Nd-Rh-Si

OSTI Identifier:: 1678056

DOI:: https://doi.org/10.17188/1678056

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                    The Materials Project. Materials Data on NdSi3Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678056.

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                    The Materials Project. Materials Data on NdSi3Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1678056

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                    The Materials Project. 2020.  
"Materials Data on NdSi3Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1678056.  https://www.osti.gov/servlets/purl/1678056. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1678056,

  title        = {Materials Data on NdSi3Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are four shorter (3.37 Å) and one longer (3.41 Å) Nd–Rh bond lengths. There are a spread of Nd–Si bond distances ranging from 3.12–3.36 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Nd and five Si atoms. There are four shorter (2.37 Å) and one longer (2.39 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Nd, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.60 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Nd, two equivalent Rh, and two equivalent Si atoms.},

  doi          = {10.17188/1678056},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678056

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