Materials Data on Nd2Si3Rh by Materials Project

doi:10.17188/1262798

Title: Materials Data on Nd2Si3Rh by Materials Project

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Abstract

Nd2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve equivalent Si atoms to form NdSi12 cuboctahedra that share edges with twelve equivalent NdSi8Rh4 cuboctahedra and faces with eight NdSi12 cuboctahedra. There are six shorter (3.16 Å) and six longer (3.19 Å) Nd–Si bond lengths. In the second Nd site, Nd is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of edge and face-sharing NdSi8Rh4 cuboctahedra. There are two shorter (3.10 Å) and two longer (3.25 Å) Nd–Rh bond lengths. There are four shorter (3.13 Å) and four longer (3.21 Å) Nd–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Rh–Si bond lengths are 2.40 Å. Si is bonded in a 1-coordinate geometry to six Nd, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.39 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-5082

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; Nd2Si3Rh; Nd-Rh-Si

OSTI Identifier:: 1262798

DOI:: https://doi.org/10.17188/1262798

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                    The Materials Project. Materials Data on Nd2Si3Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262798.

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                    The Materials Project. Materials Data on Nd2Si3Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1262798

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                    The Materials Project. 2020.  
"Materials Data on Nd2Si3Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1262798.  https://www.osti.gov/servlets/purl/1262798. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1262798,

  title        = {Materials Data on Nd2Si3Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve equivalent Si atoms to form NdSi12 cuboctahedra that share edges with twelve equivalent NdSi8Rh4 cuboctahedra and faces with eight NdSi12 cuboctahedra. There are six shorter (3.16 Å) and six longer (3.19 Å) Nd–Si bond lengths. In the second Nd site, Nd is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of edge and face-sharing NdSi8Rh4 cuboctahedra. There are two shorter (3.10 Å) and two longer (3.25 Å) Nd–Rh bond lengths. There are four shorter (3.13 Å) and four longer (3.21 Å) Nd–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Rh–Si bond lengths are 2.40 Å. Si is bonded in a 1-coordinate geometry to six Nd, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.39 Å.},

  doi          = {10.17188/1262798},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262798

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