Materials Data on TiMnV2 by Materials Project

doi:10.17188/1717235

Title: Materials Data on TiMnV2 by Materials Project

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Abstract

TiV2Mn crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to four equivalent Ti, two equivalent V, and two equivalent Mn atoms. All Ti–Ti bond lengths are 2.65 Å. Both Ti–V bond lengths are 2.75 Å. Both Ti–Mn bond lengths are 2.49 Å. There are two inequivalent V sites. In the first V site, V is bonded in a 2-coordinate geometry to two equivalent V and two equivalent Mn atoms. Both V–V bond lengths are 2.55 Å. Both V–Mn bond lengths are 2.38 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to two equivalent Ti and six V atoms. All V–V bond lengths are 2.65 Å. Mn is bonded in a 4-coordinate geometry to two equivalent Ti and two equivalent V atoms.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1216769

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; TiMnV2; Mn-Ti-V

OSTI Identifier:: 1717235

DOI:: https://doi.org/10.17188/1717235

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                    The Materials Project. Materials Data on TiMnV2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1717235.

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                    The Materials Project. Materials Data on TiMnV2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717235

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                    The Materials Project. 2019.  
"Materials Data on TiMnV2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717235.  https://www.osti.gov/servlets/purl/1717235. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1717235,

  title        = {Materials Data on TiMnV2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TiV2Mn crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to four equivalent Ti, two equivalent V, and two equivalent Mn atoms. All Ti–Ti bond lengths are 2.65 Å. Both Ti–V bond lengths are 2.75 Å. Both Ti–Mn bond lengths are 2.49 Å. There are two inequivalent V sites. In the first V site, V is bonded in a 2-coordinate geometry to two equivalent V and two equivalent Mn atoms. Both V–V bond lengths are 2.55 Å. Both V–Mn bond lengths are 2.38 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to two equivalent Ti and six V atoms. All V–V bond lengths are 2.65 Å. Mn is bonded in a 4-coordinate geometry to two equivalent Ti and two equivalent V atoms.},

  doi          = {10.17188/1717235},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1717235

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