Materials Data on MnAlV2 by Materials Project

doi:10.17188/1705793

Title: Materials Data on MnAlV2 by Materials Project

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Abstract

V2MnAl is Tungsten-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to four V and four Mn atoms. All V–V bond lengths are 2.58 Å. All V–Mn bond lengths are 2.58 Å. In the second V site, V is bonded in a 8-coordinate geometry to four equivalent V, six Mn, and four equivalent Al atoms. There are four shorter (2.96 Å) and two longer (2.99 Å) V–Mn bond lengths. All V–Al bond lengths are 2.58 Å. In the third V site, V is bonded in a 8-coordinate geometry to four equivalent V, six Mn, and four equivalent Al atoms. There are four shorter (2.96 Å) and two longer (2.99 Å) V–Mn bond lengths. All V–Al bond lengths are 2.58 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to ten V and four equivalent Al atoms. All Mn–Al bond lengths are 2.58 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to ten V and four equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-1221624

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; MnAlV2; Al-Mn-V

OSTI Identifier:: 1705793

DOI:: https://doi.org/10.17188/1705793

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                    The Materials Project. Materials Data on MnAlV2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705793.

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                    The Materials Project. Materials Data on MnAlV2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705793

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                    The Materials Project. 2020.  
"Materials Data on MnAlV2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705793.  https://www.osti.gov/servlets/purl/1705793. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1705793,

  title        = {Materials Data on MnAlV2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2MnAl is Tungsten-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to four V and four Mn atoms. All V–V bond lengths are 2.58 Å. All V–Mn bond lengths are 2.58 Å. In the second V site, V is bonded in a 8-coordinate geometry to four equivalent V, six Mn, and four equivalent Al atoms. There are four shorter (2.96 Å) and two longer (2.99 Å) V–Mn bond lengths. All V–Al bond lengths are 2.58 Å. In the third V site, V is bonded in a 8-coordinate geometry to four equivalent V, six Mn, and four equivalent Al atoms. There are four shorter (2.96 Å) and two longer (2.99 Å) V–Mn bond lengths. All V–Al bond lengths are 2.58 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to ten V and four equivalent Al atoms. All Mn–Al bond lengths are 2.58 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to ten V and four equivalent Al atoms. All Mn–Al bond lengths are 2.58 Å. Al is bonded in a distorted body-centered cubic geometry to four V and four Mn atoms.},

  doi          = {10.17188/1705793},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1705793

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