Materials Data on TeAsRu by Materials Project

doi:10.17188/1656018

Title: Materials Data on TeAsRu by Materials Project

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Abstract

RuAsTe is Spinel-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ru5+ is bonded to three equivalent As3- and three equivalent Te2- atoms to form RuTe3As3 octahedra that share corners with eight equivalent RuTe3As3 octahedra, corners with three equivalent AsTeRu3 tetrahedra, corners with three equivalent TeAsRu3 tetrahedra, and edges with two equivalent RuTe3As3 octahedra. The corner-sharing octahedra tilt angles range from 49–61°. There are two shorter (2.45 Å) and one longer (2.46 Å) Ru–As bond lengths. There are one shorter (2.68 Å) and two longer (2.70 Å) Ru–Te bond lengths. As3- is bonded to three equivalent Ru5+ and one Te2- atom to form AsTeRu3 tetrahedra that share corners with three equivalent RuTe3As3 octahedra, corners with four equivalent AsTeRu3 tetrahedra, corners with nine equivalent TeAsRu3 tetrahedra, and an edgeedge with one AsTeRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 74–75°. The As–Te bond length is 2.74 Å. Te2- is bonded to three equivalent Ru5+ and one As3- atom to form TeAsRu3 tetrahedra that share corners with three equivalent RuTe3As3 octahedra, corners with four equivalent TeAsRu3 tetrahedra, corners with nine equivalent AsTeRu3 tetrahedra, and an edgeedge with one TeAsRu3 tetrahedra. The corner-sharing octahedra tilt angles rangemore » from 72–77°.« less

Authors:: The Materials Project

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

Other Number(s):: mp-1095634

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; TeAsRu; As-Ru-Te

OSTI Identifier:: 1656018

DOI:: https://doi.org/10.17188/1656018

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                    The Materials Project. Materials Data on TeAsRu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1656018.

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                    The Materials Project. Materials Data on TeAsRu by Materials Project.  United States.  doi:https://doi.org/10.17188/1656018

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                    The Materials Project. 2020.  
"Materials Data on TeAsRu by Materials Project".  United States.  doi:https://doi.org/10.17188/1656018.  https://www.osti.gov/servlets/purl/1656018. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1656018,

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

  author       = {The Materials Project},

  abstractNote = {RuAsTe is Spinel-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ru5+ is bonded to three equivalent As3- and three equivalent Te2- atoms to form RuTe3As3 octahedra that share corners with eight equivalent RuTe3As3 octahedra, corners with three equivalent AsTeRu3 tetrahedra, corners with three equivalent TeAsRu3 tetrahedra, and edges with two equivalent RuTe3As3 octahedra. The corner-sharing octahedra tilt angles range from 49–61°. There are two shorter (2.45 Å) and one longer (2.46 Å) Ru–As bond lengths. There are one shorter (2.68 Å) and two longer (2.70 Å) Ru–Te bond lengths. As3- is bonded to three equivalent Ru5+ and one Te2- atom to form AsTeRu3 tetrahedra that share corners with three equivalent RuTe3As3 octahedra, corners with four equivalent AsTeRu3 tetrahedra, corners with nine equivalent TeAsRu3 tetrahedra, and an edgeedge with one AsTeRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 74–75°. The As–Te bond length is 2.74 Å. Te2- is bonded to three equivalent Ru5+ and one As3- atom to form TeAsRu3 tetrahedra that share corners with three equivalent RuTe3As3 octahedra, corners with four equivalent TeAsRu3 tetrahedra, corners with nine equivalent AsTeRu3 tetrahedra, and an edgeedge with one TeAsRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–77°.},

  doi          = {10.17188/1656018},

  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/10.17188/1656018

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