Materials Data on Y(VSn)6 by Materials Project

doi:10.17188/1725169

Title: Materials Data on Y(VSn)6 by Materials Project

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Abstract

YV6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded to eight Sn atoms to form edge-sharing YSn8 hexagonal bipyramids. There are two shorter (3.06 Å) and six longer (3.19 Å) Y–Sn bond lengths. V is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of V–Sn bond distances ranging from 2.80–2.86 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Y, six equivalent V, and one Sn atom. The Sn–Sn bond length is 3.11 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent V atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent V atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1104337

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; Y(VSn)6; Sn-V-Y

OSTI Identifier:: 1725169

DOI:: https://doi.org/10.17188/1725169

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                    The Materials Project. Materials Data on Y(VSn)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1725169.

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                    The Materials Project. Materials Data on Y(VSn)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1725169

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                    The Materials Project. 2020.  
"Materials Data on Y(VSn)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1725169.  https://www.osti.gov/servlets/purl/1725169. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1725169,

  title        = {Materials Data on Y(VSn)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YV6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded to eight Sn atoms to form edge-sharing YSn8 hexagonal bipyramids. There are two shorter (3.06 Å) and six longer (3.19 Å) Y–Sn bond lengths. V is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of V–Sn bond distances ranging from 2.80–2.86 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Y, six equivalent V, and one Sn atom. The Sn–Sn bond length is 3.11 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent V atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent V atoms.},

  doi          = {10.17188/1725169},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1725169

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