Materials Data on Yb3CoSn6 by Materials Project

doi:10.17188/1275397

Title: Materials Data on Yb3CoSn6 by Materials Project

Abstract

Yb3CoSn6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to two equivalent Co and ten Sn atoms. Both Yb–Co bond lengths are 3.55 Å. There are a spread of Yb–Sn bond distances ranging from 3.22–3.64 Å. In the second Yb site, Yb is bonded in a 11-coordinate geometry to one Co and ten Sn atoms. The Yb–Co bond length is 3.15 Å. There are a spread of Yb–Sn bond distances ranging from 3.19–3.34 Å. Co is bonded in a 10-coordinate geometry to five Yb and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.51–2.58 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four Yb, one Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Yb and one Sn atom. The Sn–Sn bond length is 2.99 Å. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Yb and two equivalentmore »« less

Publication Date:: 2020-07-15

Other Number(s):: mp-569975

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; Yb3CoSn6; Co-Sn-Yb

OSTI Identifier:: 1275397

DOI:: 10.17188/1275397

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                    The Materials Project. Materials Data on Yb3CoSn6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275397.

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                    The Materials Project. Materials Data on Yb3CoSn6 by Materials Project.  United States.  doi:10.17188/1275397.

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                    The Materials Project. 2020.  
"Materials Data on Yb3CoSn6 by Materials Project".  United States.  doi:10.17188/1275397.  https://www.osti.gov/servlets/purl/1275397. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1275397,

  title        = {Materials Data on Yb3CoSn6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb3CoSn6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to two equivalent Co and ten Sn atoms. Both Yb–Co bond lengths are 3.55 Å. There are a spread of Yb–Sn bond distances ranging from 3.22–3.64 Å. In the second Yb site, Yb is bonded in a 11-coordinate geometry to one Co and ten Sn atoms. The Yb–Co bond length is 3.15 Å. There are a spread of Yb–Sn bond distances ranging from 3.19–3.34 Å. Co is bonded in a 10-coordinate geometry to five Yb and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.51–2.58 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four Yb, one Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Yb and one Sn atom. The Sn–Sn bond length is 2.99 Å. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Yb and two equivalent Co atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to six Yb, one Co, and two equivalent Sn atoms.},

  doi          = {10.17188/1275397},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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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)