Materials Data on SbOsSe by Materials Project

doi:10.17188/1652783

Title: Materials Data on SbOsSe by Materials Project

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Abstract

OsSbSe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os1- is bonded to three equivalent Sb3+ and three equivalent Se2- atoms to form distorted OsSb3Se3 octahedra that share corners with eight equivalent OsSb3Se3 octahedra, corners with three equivalent SeSbOs3 tetrahedra, and edges with two equivalent OsSb3Se3 octahedra. The corner-sharing octahedra tilt angles range from 51–61°. There are a spread of Os–Sb bond distances ranging from 2.65–2.69 Å. There are a spread of Os–Se bond distances ranging from 2.47–2.51 Å. Sb3+ is bonded in a 4-coordinate geometry to three equivalent Os1- and one Se2- atom. The Sb–Se bond length is 2.77 Å. Se2- is bonded to three equivalent Os1- and one Sb3+ atom to form distorted SeSbOs3 tetrahedra that share corners with three equivalent OsSb3Se3 octahedra, corners with four equivalent SeSbOs3 tetrahedra, and an edgeedge with one SeSbOs3 tetrahedra. The corner-sharing octahedra tilt angles range from 77–79°.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1101771

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; SbOsSe; Os-Sb-Se

OSTI Identifier:: 1652783

DOI:: https://doi.org/10.17188/1652783

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                    The Materials Project. Materials Data on SbOsSe by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1652783.

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                    The Materials Project. Materials Data on SbOsSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1652783

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                    The Materials Project. 2018.  
"Materials Data on SbOsSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1652783.  https://www.osti.gov/servlets/purl/1652783. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1652783,

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

  author       = {The Materials Project},

  abstractNote = {OsSbSe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os1- is bonded to three equivalent Sb3+ and three equivalent Se2- atoms to form distorted OsSb3Se3 octahedra that share corners with eight equivalent OsSb3Se3 octahedra, corners with three equivalent SeSbOs3 tetrahedra, and edges with two equivalent OsSb3Se3 octahedra. The corner-sharing octahedra tilt angles range from 51–61°. There are a spread of Os–Sb bond distances ranging from 2.65–2.69 Å. There are a spread of Os–Se bond distances ranging from 2.47–2.51 Å. Sb3+ is bonded in a 4-coordinate geometry to three equivalent Os1- and one Se2- atom. The Sb–Se bond length is 2.77 Å. Se2- is bonded to three equivalent Os1- and one Sb3+ atom to form distorted SeSbOs3 tetrahedra that share corners with three equivalent OsSb3Se3 octahedra, corners with four equivalent SeSbOs3 tetrahedra, and an edgeedge with one SeSbOs3 tetrahedra. The corner-sharing octahedra tilt angles range from 77–79°.},

  doi          = {10.17188/1652783},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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