Materials Data on V2CrTe4 by Materials Project

doi:10.17188/1355615

Title: Materials Data on V2CrTe4 by Materials Project

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Abstract

V2CrTe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V+2.50+ is bonded to six Te2- atoms to form VTe6 octahedra that share corners with six equivalent CrTe6 octahedra, edges with six equivalent VTe6 octahedra, and a faceface with one CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of V–Te bond distances ranging from 2.70–2.88 Å. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent VTe6 octahedra, edges with two equivalent CrTe6 octahedra, and faces with two equivalent VTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are two shorter (2.77 Å) and four longer (2.83 Å) Cr–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent V+2.50+ and two equivalent Cr3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent V+2.50+ and one Cr3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-08-03

Other Number(s):: mp-1025278

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; V2CrTe4; Cr-Te-V

OSTI Identifier:: 1355615

DOI:: https://doi.org/10.17188/1355615

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                    The Materials Project. Materials Data on V2CrTe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355615.

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                    The Materials Project. Materials Data on V2CrTe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355615

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                    The Materials Project. 2020.  
"Materials Data on V2CrTe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355615.  https://www.osti.gov/servlets/purl/1355615. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1355615,

  title        = {Materials Data on V2CrTe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2CrTe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V+2.50+ is bonded to six Te2- atoms to form VTe6 octahedra that share corners with six equivalent CrTe6 octahedra, edges with six equivalent VTe6 octahedra, and a faceface with one CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of V–Te bond distances ranging from 2.70–2.88 Å. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent VTe6 octahedra, edges with two equivalent CrTe6 octahedra, and faces with two equivalent VTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are two shorter (2.77 Å) and four longer (2.83 Å) Cr–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent V+2.50+ and two equivalent Cr3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent V+2.50+ and one Cr3+ atom.},

  doi          = {10.17188/1355615},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1355615

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