Materials Data on ReOs3 by Materials Project

doi:10.17188/1311788

Title: Materials Data on ReOs3 by Materials Project

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Abstract

ReOs3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re3+ is bonded to twelve equivalent Os1- atoms to form ReOs12 cuboctahedra that share corners with six equivalent ReOs12 cuboctahedra, corners with twelve equivalent OsRe4Os8 cuboctahedra, edges with eighteen equivalent OsRe4Os8 cuboctahedra, faces with eight equivalent ReOs12 cuboctahedra, and faces with twelve equivalent OsRe4Os8 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.77 Å) Re–Os bond lengths. Os1- is bonded to four equivalent Re3+ and eight equivalent Os1- atoms to form distorted OsRe4Os8 cuboctahedra that share corners with four equivalent ReOs12 cuboctahedra, corners with fourteen equivalent OsRe4Os8 cuboctahedra, edges with six equivalent ReOs12 cuboctahedra, edges with twelve equivalent OsRe4Os8 cuboctahedra, faces with four equivalent ReOs12 cuboctahedra, and faces with sixteen equivalent OsRe4Os8 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.71–2.78 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-867141

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; ReOs3; Os-Re

OSTI Identifier:: 1311788

DOI:: https://doi.org/10.17188/1311788

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                    The Materials Project. Materials Data on ReOs3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1311788.

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                    The Materials Project. Materials Data on ReOs3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1311788

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                    The Materials Project. 2020.  
"Materials Data on ReOs3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1311788.  https://www.osti.gov/servlets/purl/1311788. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1311788,

  title        = {Materials Data on ReOs3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReOs3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re3+ is bonded to twelve equivalent Os1- atoms to form ReOs12 cuboctahedra that share corners with six equivalent ReOs12 cuboctahedra, corners with twelve equivalent OsRe4Os8 cuboctahedra, edges with eighteen equivalent OsRe4Os8 cuboctahedra, faces with eight equivalent ReOs12 cuboctahedra, and faces with twelve equivalent OsRe4Os8 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.77 Å) Re–Os bond lengths. Os1- is bonded to four equivalent Re3+ and eight equivalent Os1- atoms to form distorted OsRe4Os8 cuboctahedra that share corners with four equivalent ReOs12 cuboctahedra, corners with fourteen equivalent OsRe4Os8 cuboctahedra, edges with six equivalent ReOs12 cuboctahedra, edges with twelve equivalent OsRe4Os8 cuboctahedra, faces with four equivalent ReOs12 cuboctahedra, and faces with sixteen equivalent OsRe4Os8 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.71–2.78 Å.},

  doi          = {10.17188/1311788},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1311788

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