Materials Data on V2Ga5 by Materials Project

doi:10.17188/1195532

Title: Materials Data on V2Ga5 by Materials Project

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Abstract

V2Ga5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. V is bonded to two equivalent V and ten Ga atoms to form a mixture of corner, edge, and face-sharing VV2Ga10 cuboctahedra. Both V–V bond lengths are 2.68 Å. There are a spread of V–Ga bond distances ranging from 2.65–2.74 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent V and six Ga atoms. There are two shorter (2.68 Å) and four longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent V and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.96 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-20405

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; V2Ga5; Ga-V

OSTI Identifier:: 1195532

DOI:: https://doi.org/10.17188/1195532

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                    The Materials Project. Materials Data on V2Ga5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195532.

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                    The Materials Project. Materials Data on V2Ga5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195532

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                    The Materials Project. 2020.  
"Materials Data on V2Ga5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195532.  https://www.osti.gov/servlets/purl/1195532. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195532,

  title        = {Materials Data on V2Ga5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2Ga5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. V is bonded to two equivalent V and ten Ga atoms to form a mixture of corner, edge, and face-sharing VV2Ga10 cuboctahedra. Both V–V bond lengths are 2.68 Å. There are a spread of V–Ga bond distances ranging from 2.65–2.74 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent V and six Ga atoms. There are two shorter (2.68 Å) and four longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent V and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.96 Å.},

  doi          = {10.17188/1195532},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195532

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