Materials Data on Eu2B4Rh5 by Materials Project

doi:10.17188/1275757

Title: Materials Data on Eu2B4Rh5 by Materials Project

Abstract

Eu2Rh5B4 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to ten Rh and six equivalent B atoms. There are a spread of Eu–Rh bond distances ranging from 3.10–3.29 Å. There are two shorter (3.04 Å) and four longer (3.21 Å) Eu–B bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Eu and four equivalent B atoms. All Rh–B bond lengths are 2.20 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent B atoms. All Rh–B bond lengths are 2.13 Å. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Eu and four equivalent B atoms. All Rh–B bond lengths are 2.18 Å. B is bonded in a 5-coordinate geometry to three equivalent Eu and five Rh atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-570529

DOE Contract Number:: AC02-05CH11231; EDCBEE

Product Type:: Dataset

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)

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Eu2B4Rh5; B-Eu-Rh

OSTI Identifier:: 1275757

DOI:: https://doi.org/10.17188/1275757

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                    The Materials Project. Materials Data on Eu2B4Rh5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275757.

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                    The Materials Project. Materials Data on Eu2B4Rh5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275757

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                    The Materials Project. 2020.  
"Materials Data on Eu2B4Rh5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275757.  https://www.osti.gov/servlets/purl/1275757. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1275757,

  title        = {Materials Data on Eu2B4Rh5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu2Rh5B4 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to ten Rh and six equivalent B atoms. There are a spread of Eu–Rh bond distances ranging from 3.10–3.29 Å. There are two shorter (3.04 Å) and four longer (3.21 Å) Eu–B bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Eu and four equivalent B atoms. All Rh–B bond lengths are 2.20 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent B atoms. All Rh–B bond lengths are 2.13 Å. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Eu and four equivalent B atoms. All Rh–B bond lengths are 2.18 Å. B is bonded in a 5-coordinate geometry to three equivalent Eu and five Rh atoms.},

  doi          = {10.17188/1275757},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275757

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The Materials Project

Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials. Experimental research can be targeted to the most promising compounds from computational data sets. Supercomputing clusters at national laboratories provide the infrastructure that enables computations, data, and algorithms to run at unparalleled speed. Researchers are be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aimsmore »

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Research Org:	Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); University of Califorinia San Diego Supercomputing Center (SDSC), San Diego, CA (United States)
Sponsoring Org:	USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)