Materials Data on As2Ru by Materials Project

doi:10.17188/1296484

Title: Materials Data on As2Ru by Materials Project

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Abstract

RuAs2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ru6+ is bonded to six equivalent As3- atoms to form RuAs6 octahedra that share corners with eight equivalent RuAs6 octahedra, corners with six equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuAs6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are two shorter (2.47 Å) and four longer (2.50 Å) Ru–As bond lengths. As3- is bonded to three equivalent Ru6+ and one As3- atom to form distorted AsAsRu3 tetrahedra that share corners with three equivalent RuAs6 octahedra, corners with thirteen equivalent AsAsRu3 tetrahedra, and an edgeedge with one AsAsRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 70–72°. The As–As bond length is 2.52 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-766

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; As2Ru; As-Ru

OSTI Identifier:: 1296484

DOI:: https://doi.org/10.17188/1296484

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                    The Materials Project. Materials Data on As2Ru by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1296484.

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                    The Materials Project. Materials Data on As2Ru by Materials Project.  United States.  doi:https://doi.org/10.17188/1296484

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                    The Materials Project. 2020.  
"Materials Data on As2Ru by Materials Project".  United States.  doi:https://doi.org/10.17188/1296484.  https://www.osti.gov/servlets/purl/1296484. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1296484,

  title        = {Materials Data on As2Ru by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RuAs2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ru6+ is bonded to six equivalent As3- atoms to form RuAs6 octahedra that share corners with eight equivalent RuAs6 octahedra, corners with six equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuAs6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are two shorter (2.47 Å) and four longer (2.50 Å) Ru–As bond lengths. As3- is bonded to three equivalent Ru6+ and one As3- atom to form distorted AsAsRu3 tetrahedra that share corners with three equivalent RuAs6 octahedra, corners with thirteen equivalent AsAsRu3 tetrahedra, and an edgeedge with one AsAsRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 70–72°. The As–As bond length is 2.52 Å.},

  doi          = {10.17188/1296484},

  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/10.17188/1296484

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