Materials Data on V6Ga5 by Materials Project

doi:10.17188/1276321

Title: Materials Data on V6Ga5 by Materials Project

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Abstract

V6Ga5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded to six V and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing VV6Ga6 cuboctahedra. There are two shorter (2.56 Å) and four longer (2.83 Å) V–V bond lengths. There are four shorter (2.57 Å) and two longer (2.77 Å) V–Ga bond lengths. In the second V site, V is bonded in a 7-coordinate geometry to four equivalent V and seven Ga atoms. There are a spread of V–Ga bond distances ranging from 2.60–2.72 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to six equivalent V and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.56 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine V atoms. In the third Ga site, Ga is bonded in a 8-coordinate geometry to eight V atoms.

Authors:: The Materials Project

Publication Date:: Tue Jun 04 00:00:00 EDT 2019

Other Number(s):: mp-571557

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; V6Ga5; Ga-V

OSTI Identifier:: 1276321

DOI:: https://doi.org/10.17188/1276321

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                    The Materials Project. Materials Data on V6Ga5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1276321.

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                    The Materials Project. Materials Data on V6Ga5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276321

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                    The Materials Project. 2019.  
"Materials Data on V6Ga5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276321.  https://www.osti.gov/servlets/purl/1276321. Pub date:Tue Jun 04 00:00:00 EDT 2019

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@article{osti_1276321,

  title        = {Materials Data on V6Ga5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V6Ga5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded to six V and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing VV6Ga6 cuboctahedra. There are two shorter (2.56 Å) and four longer (2.83 Å) V–V bond lengths. There are four shorter (2.57 Å) and two longer (2.77 Å) V–Ga bond lengths. In the second V site, V is bonded in a 7-coordinate geometry to four equivalent V and seven Ga atoms. There are a spread of V–Ga bond distances ranging from 2.60–2.72 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to six equivalent V and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.56 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine V atoms. In the third Ga site, Ga is bonded in a 8-coordinate geometry to eight V atoms.},

  doi          = {10.17188/1276321},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jun 04 00:00:00 EDT 2019},

  month        = {Tue Jun 04 00:00:00 EDT 2019}

}

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DOI: https://doi.org/10.17188/1276321

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