Materials Data on Ca5Rh by Materials Project

doi:10.17188/1717252

Title: Materials Data on Ca5Rh by Materials Project

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Abstract

Ca5Rh crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ca5Rh sheets oriented in the (0, 0, 1) direction. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a single-bond geometry to one Rh atom. The Ca–Rh bond length is 3.23 Å. In the second Ca site, Ca is bonded in a bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.83 Å) and one longer (2.88 Å) Ca–Rh bond lengths. In the third Ca site, Ca is bonded in a water-like geometry to two equivalent Rh atoms. There are one shorter (2.95 Å) and one longer (3.00 Å) Ca–Rh bond lengths. Rh is bonded in a 8-coordinate geometry to eight Ca atoms.

Publication Date:: 2020-04-29

Other Number(s):: mp-1214063

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; Ca-Rh; Ca5Rh; crystal structure

OSTI Identifier:: 1717252

DOI:: https://doi.org/10.17188/1717252

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                    Materials Data on Ca5Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717252.

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                    Materials Data on Ca5Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1717252

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                    2020.  
"Materials Data on Ca5Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1717252.  https://www.osti.gov/servlets/purl/1717252. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1717252,

  title        = {Materials Data on Ca5Rh by Materials Project},

  
  abstractNote = {Ca5Rh crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ca5Rh sheets oriented in the (0, 0, 1) direction. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a single-bond geometry to one Rh atom. The Ca–Rh bond length is 3.23 Å. In the second Ca site, Ca is bonded in a bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.83 Å) and one longer (2.88 Å) Ca–Rh bond lengths. In the third Ca site, Ca is bonded in a water-like geometry to two equivalent Rh atoms. There are one shorter (2.95 Å) and one longer (3.00 Å) Ca–Rh bond lengths. Rh is bonded in a 8-coordinate geometry to eight Ca atoms.},

  doi          = {10.17188/1717252},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1717252

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