Materials Data on V6Ga7 by Materials Project

doi:10.17188/1695865

Title: Materials Data on V6Ga7 by Materials Project

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Abstract

V6Ga7 is gamma-brass-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are nine inequivalent V sites. In the first V site, V is bonded in a 12-coordinate geometry to four V and eight Ga atoms. There are a spread of V–V bond distances ranging from 2.57–2.84 Å. There are a spread of V–Ga bond distances ranging from 2.63–2.78 Å. In the second V site, V is bonded in a 12-coordinate geometry to five V and seven Ga atoms. There are a spread of V–V bond distances ranging from 2.61–2.82 Å. There are a spread of V–Ga bond distances ranging from 2.60–2.74 Å. In the third V site, V is bonded in a 12-coordinate geometry to six V and six Ga atoms. There are a spread of V–V bond distances ranging from 2.65–2.74 Å. There are a spread of V–Ga bond distances ranging from 2.57–2.65 Å. In the fourth V site, V is bonded in a 12-coordinate geometry to nine V and three Ga atoms. There are a spread of V–V bond distances ranging from 2.56–2.73 Å. There are two shorter (2.65 Å) and one longer (2.73 Å) V–Ga bond lengths. In the fifth Vmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1216505

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; V6Ga7; Ga-V

OSTI Identifier:: 1695865

DOI:: https://doi.org/10.17188/1695865

Citation Formats


                    The Materials Project. Materials Data on V6Ga7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695865.

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                    The Materials Project. Materials Data on V6Ga7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695865

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                    The Materials Project. 2020.  
"Materials Data on V6Ga7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695865.  https://www.osti.gov/servlets/purl/1695865. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1695865,

  title        = {Materials Data on V6Ga7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V6Ga7 is gamma-brass-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are nine inequivalent V sites. In the first V site, V is bonded in a 12-coordinate geometry to four V and eight Ga atoms. There are a spread of V–V bond distances ranging from 2.57–2.84 Å. There are a spread of V–Ga bond distances ranging from 2.63–2.78 Å. In the second V site, V is bonded in a 12-coordinate geometry to five V and seven Ga atoms. There are a spread of V–V bond distances ranging from 2.61–2.82 Å. There are a spread of V–Ga bond distances ranging from 2.60–2.74 Å. In the third V site, V is bonded in a 12-coordinate geometry to six V and six Ga atoms. There are a spread of V–V bond distances ranging from 2.65–2.74 Å. There are a spread of V–Ga bond distances ranging from 2.57–2.65 Å. In the fourth V site, V is bonded in a 12-coordinate geometry to nine V and three Ga atoms. There are a spread of V–V bond distances ranging from 2.56–2.73 Å. There are two shorter (2.65 Å) and one longer (2.73 Å) V–Ga bond lengths. In the fifth V site, V is bonded in a 12-coordinate geometry to eight V and four Ga atoms. There are a spread of V–V bond distances ranging from 2.60–2.74 Å. There are a spread of V–Ga bond distances ranging from 2.64–2.73 Å. In the sixth V site, V is bonded in a 12-coordinate geometry to seven V and five Ga atoms. The V–V bond length is 2.62 Å. There are two shorter (2.67 Å) and three longer (2.70 Å) V–Ga bond lengths. In the seventh V site, V is bonded in a 1-coordinate geometry to four V and nine Ga atoms. There are a spread of V–Ga bond distances ranging from 2.67–3.12 Å. In the eighth V site, V is bonded in a 2-coordinate geometry to five V and eight Ga atoms. The V–V bond length is 2.82 Å. There are a spread of V–Ga bond distances ranging from 2.64–3.13 Å. In the ninth V site, V is bonded in a 2-coordinate geometry to five V and eight Ga atoms. There are a spread of V–Ga bond distances ranging from 2.61–2.99 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to five V and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.98 Å. In the second Ga site, Ga is bonded in a 11-coordinate geometry to five V and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.79–2.92 Å. In the third Ga site, Ga is bonded in a 7-coordinate geometry to five V and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–3.07 Å. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to six V and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.67–2.78 Å. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to seven V and four Ga atoms. Both Ga–Ga bond lengths are 2.68 Å. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to five V and six Ga atoms. The Ga–Ga bond length is 2.81 Å. In the seventh Ga site, Ga is bonded in a 11-coordinate geometry to six V and five Ga atoms. The Ga–Ga bond length is 2.68 Å. In the eighth Ga site, Ga is bonded in a 11-coordinate geometry to six V and five Ga atoms.},

  doi          = {10.17188/1695865},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1695865

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