Materials Data on SbAsRu by Materials Project

doi:10.17188/1663753

Title: Materials Data on SbAsRu by Materials Project

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Abstract

RuSbAs crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Ru6+ sites. In the first Ru6+ site, Ru6+ is bonded to four equivalent Sb3- and two equivalent As3- atoms to form RuSb4As2 octahedra that share corners with eight equivalent RuSb2As4 octahedra, corners with two equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuSb4As2 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. All Ru–Sb bond lengths are 2.63 Å. Both Ru–As bond lengths are 2.55 Å. In the second Ru6+ site, Ru6+ is bonded to two equivalent Sb3- and four equivalent As3- atoms to form RuSb2As4 octahedra that share corners with eight equivalent RuSb4As2 octahedra, corners with four equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuSb2As4 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. Both Ru–Sb bond lengths are 2.59 Å. All Ru–As bond lengths are 2.56 Å. Sb3- is bonded in a 4-coordinate geometry to three Ru6+ and three equivalent Sb3- atoms. There are one shorter (2.79 Å) and two longer (3.13 Å) Sb–Sb bond lengths. As3- is bonded to three Ru6+ and one As3- atom to form distorted AsAsRu3 tetrahedra that share corners with three RuSb4As2 octahedra, corners with fivemore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219464

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; SbAsRu; As-Ru-Sb

OSTI Identifier:: 1663753

DOI:: https://doi.org/10.17188/1663753

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                    The Materials Project. Materials Data on SbAsRu by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1663753.

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                    The Materials Project. Materials Data on SbAsRu by Materials Project.  United States.  doi:https://doi.org/10.17188/1663753

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                    The Materials Project. 2019.  
"Materials Data on SbAsRu by Materials Project".  United States.  doi:https://doi.org/10.17188/1663753.  https://www.osti.gov/servlets/purl/1663753. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1663753,

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

  author       = {The Materials Project},

  abstractNote = {RuSbAs crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Ru6+ sites. In the first Ru6+ site, Ru6+ is bonded to four equivalent Sb3- and two equivalent As3- atoms to form RuSb4As2 octahedra that share corners with eight equivalent RuSb2As4 octahedra, corners with two equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuSb4As2 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. All Ru–Sb bond lengths are 2.63 Å. Both Ru–As bond lengths are 2.55 Å. In the second Ru6+ site, Ru6+ is bonded to two equivalent Sb3- and four equivalent As3- atoms to form RuSb2As4 octahedra that share corners with eight equivalent RuSb4As2 octahedra, corners with four equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuSb2As4 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. Both Ru–Sb bond lengths are 2.59 Å. All Ru–As bond lengths are 2.56 Å. Sb3- is bonded in a 4-coordinate geometry to three Ru6+ and three equivalent Sb3- atoms. There are one shorter (2.79 Å) and two longer (3.13 Å) Sb–Sb bond lengths. As3- is bonded to three Ru6+ and one As3- atom to form distorted AsAsRu3 tetrahedra that share corners with three RuSb4As2 octahedra, corners with five equivalent AsAsRu3 tetrahedra, and an edgeedge with one AsAsRu3 tetrahedra. The corner-sharing octahedral tilt angles are 71°. The As–As bond length is 2.77 Å.},

  doi          = {10.17188/1663753},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1663753

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