Materials Data on V2GaSn2 by Materials Project

doi:10.17188/1279907

Title: Materials Data on V2GaSn2 by Materials Project

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Abstract

V2GaSn2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 11-coordinate geometry to three V, four equivalent Ga, and four Sn atoms. There are one shorter (2.81 Å) and two longer (2.84 Å) V–V bond lengths. There are two shorter (2.57 Å) and two longer (2.69 Å) V–Ga bond lengths. There are a spread of V–Sn bond distances ranging from 2.76–2.91 Å. In the second V site, V is bonded in a 11-coordinate geometry to four V, one Ga, and six Sn atoms. Both V–V bond lengths are 2.80 Å. The V–Ga bond length is 2.65 Å. There are a spread of V–Sn bond distances ranging from 2.76–2.90 Å. Ga is bonded in a 11-coordinate geometry to five V, two equivalent Ga, and four equivalent Sn atoms. Both Ga–Ga bond lengths are 2.80 Å. There are two shorter (3.05 Å) and two longer (3.15 Å) Ga–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five V atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometrymore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-640159

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; V2GaSn2; Ga-Sn-V

OSTI Identifier:: 1279907

DOI:: https://doi.org/10.17188/1279907

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                    The Materials Project. Materials Data on V2GaSn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279907.

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                    The Materials Project. Materials Data on V2GaSn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279907

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                    The Materials Project. 2020.  
"Materials Data on V2GaSn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279907.  https://www.osti.gov/servlets/purl/1279907. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1279907,

  title        = {Materials Data on V2GaSn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2GaSn2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 11-coordinate geometry to three V, four equivalent Ga, and four Sn atoms. There are one shorter (2.81 Å) and two longer (2.84 Å) V–V bond lengths. There are two shorter (2.57 Å) and two longer (2.69 Å) V–Ga bond lengths. There are a spread of V–Sn bond distances ranging from 2.76–2.91 Å. In the second V site, V is bonded in a 11-coordinate geometry to four V, one Ga, and six Sn atoms. Both V–V bond lengths are 2.80 Å. The V–Ga bond length is 2.65 Å. There are a spread of V–Sn bond distances ranging from 2.76–2.90 Å. Ga is bonded in a 11-coordinate geometry to five V, two equivalent Ga, and four equivalent Sn atoms. Both Ga–Ga bond lengths are 2.80 Å. There are two shorter (3.05 Å) and two longer (3.15 Å) Ga–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five V atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to five V and four equivalent Ga atoms.},

  doi          = {10.17188/1279907},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279907

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