Materials Data on Nd4Rh by Materials Project

doi:10.17188/1758405

Title: Materials Data on Nd4Rh by Materials Project

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Abstract

Nd4Rh crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Nd6Rh cluster and one Nd3Rh sheet oriented in the (0, 1, 0) direction. In the Nd6Rh cluster, there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.94 Å. In the second Nd site, Nd is bonded in a single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.90 Å. In the third Nd site, Nd is bonded in a distorted single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.89 Å. In the fourth Nd site, Nd is bonded in a distorted single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.90 Å. Rh is bonded in a 6-coordinate geometry to six Nd atoms. In the Nd3Rh sheet, there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.89 Å) and one longer (2.95 Å) Nd–Rh bond lengths. In the second Nd site, Nd is bonded in a distorted bent 150more »« less

Publication Date:: 2020-09-03

Other Number(s):: mp-1220520

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Nd-Rh; Nd4Rh; crystal structure

OSTI Identifier:: 1758405

DOI:: https://doi.org/10.17188/1758405

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                    Materials Data on Nd4Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758405.

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                    Materials Data on Nd4Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1758405

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                    2020.  
"Materials Data on Nd4Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1758405.  https://www.osti.gov/servlets/purl/1758405. Pub date:Thu Sep 03 04:00:00 UTC 2020

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@article{osti_1758405,

  title        = {Materials Data on Nd4Rh by Materials Project},

  
  abstractNote = {Nd4Rh crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Nd6Rh cluster and one Nd3Rh sheet oriented in the (0, 1, 0) direction. In the Nd6Rh cluster, there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.94 Å. In the second Nd site, Nd is bonded in a single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.90 Å. In the third Nd site, Nd is bonded in a distorted single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.89 Å. In the fourth Nd site, Nd is bonded in a distorted single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.90 Å. Rh is bonded in a 6-coordinate geometry to six Nd atoms. In the Nd3Rh sheet, there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.89 Å) and one longer (2.95 Å) Nd–Rh bond lengths. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.88 Å) and one longer (2.96 Å) Nd–Rh bond lengths. In the third Nd site, Nd is bonded in a distorted L-shaped geometry to two equivalent Rh atoms. Both Nd–Rh bond lengths are 2.92 Å. In the fourth Nd site, Nd is bonded in a water-like geometry to two equivalent Rh atoms. Both Nd–Rh bond lengths are 2.91 Å. Rh is bonded in a 6-coordinate geometry to six Nd atoms.},

  doi          = {10.17188/1758405},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758405

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