Materials Data on BaYbSn3 by Materials Project

doi:10.17188/1276282

Title: Materials Data on BaYbSn3 by Materials Project

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Abstract

BaYbSn3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to ten Sn atoms. There are a spread of Ba–Sn bond distances ranging from 3.57–3.82 Å. In the second Ba site, Ba is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ba–Sn bond distances ranging from 3.52–3.91 Å. Yb is bonded in a 6-coordinate geometry to eight Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.17–3.73 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to four Ba, two equivalent Yb, and three Sn atoms. There are two shorter (2.94 Å) and one longer (3.05 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 2-coordinate geometry to three Ba, three equivalent Yb, and two Sn atoms. The Sn–Sn bond length is 3.11 Å. In the third Sn site, Sn is bonded in a 5-coordinate geometry to one Ba, four equivalent Yb, and three Sn atoms. The Sn–Sn bond length is 3.11 Å. In the fourthmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-571479

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; BaYbSn3; Ba-Sn-Yb

OSTI Identifier:: 1276282

DOI:: https://doi.org/10.17188/1276282

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                    The Materials Project. Materials Data on BaYbSn3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276282.

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                    The Materials Project. Materials Data on BaYbSn3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276282

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                    The Materials Project. 2020.  
"Materials Data on BaYbSn3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276282.  https://www.osti.gov/servlets/purl/1276282. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1276282,

  title        = {Materials Data on BaYbSn3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaYbSn3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to ten Sn atoms. There are a spread of Ba–Sn bond distances ranging from 3.57–3.82 Å. In the second Ba site, Ba is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ba–Sn bond distances ranging from 3.52–3.91 Å. Yb is bonded in a 6-coordinate geometry to eight Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.17–3.73 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to four Ba, two equivalent Yb, and three Sn atoms. There are two shorter (2.94 Å) and one longer (3.05 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 2-coordinate geometry to three Ba, three equivalent Yb, and two Sn atoms. The Sn–Sn bond length is 3.11 Å. In the third Sn site, Sn is bonded in a 5-coordinate geometry to one Ba, four equivalent Yb, and three Sn atoms. The Sn–Sn bond length is 3.11 Å. In the fourth Sn site, Sn is bonded in a 10-coordinate geometry to four Ba, two equivalent Yb, and four Sn atoms. The Sn–Sn bond length is 3.25 Å.},

  doi          = {10.17188/1276282},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276282

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