Materials Data on CaIn4Rh by Materials Project

doi:10.17188/1196493

Title: Materials Data on CaIn4Rh by Materials Project

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Abstract

CaRhIn4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to one Rh and twelve In atoms. The Ca–Rh bond length is 3.08 Å. There are a spread of Ca–In bond distances ranging from 3.32–3.75 Å. Rh is bonded in a 9-coordinate geometry to one Ca and eight In atoms. There are a spread of Rh–In bond distances ranging from 2.64–2.92 Å. There are three inequivalent In sites. In the first In site, In is bonded in a linear geometry to two equivalent Ca and two equivalent Rh atoms. In the second In site, In is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca and two equivalent Rh atoms. In the third In site, In is bonded in a 2-coordinate geometry to four equivalent Ca and two equivalent Rh atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-21220

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; CaIn4Rh; Ca-In-Rh

OSTI Identifier:: 1196493

DOI:: https://doi.org/10.17188/1196493

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                    The Materials Project. Materials Data on CaIn4Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196493.

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                    The Materials Project. Materials Data on CaIn4Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1196493

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                    The Materials Project. 2020.  
"Materials Data on CaIn4Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1196493.  https://www.osti.gov/servlets/purl/1196493. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1196493,

  title        = {Materials Data on CaIn4Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaRhIn4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to one Rh and twelve In atoms. The Ca–Rh bond length is 3.08 Å. There are a spread of Ca–In bond distances ranging from 3.32–3.75 Å. Rh is bonded in a 9-coordinate geometry to one Ca and eight In atoms. There are a spread of Rh–In bond distances ranging from 2.64–2.92 Å. There are three inequivalent In sites. In the first In site, In is bonded in a linear geometry to two equivalent Ca and two equivalent Rh atoms. In the second In site, In is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca and two equivalent Rh atoms. In the third In site, In is bonded in a 2-coordinate geometry to four equivalent Ca and two equivalent Rh atoms.},

  doi          = {10.17188/1196493},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196493

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