Materials Data on Os3W by Materials Project

doi:10.17188/1676537

Title: Materials Data on Os3W by Materials Project

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Abstract

WOs3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W6+ is bonded to twelve equivalent Os2- atoms to form WOs12 cuboctahedra that share corners with six equivalent WOs12 cuboctahedra, corners with twelve equivalent OsOs8W4 cuboctahedra, edges with eighteen equivalent OsOs8W4 cuboctahedra, faces with eight equivalent WOs12 cuboctahedra, and faces with twelve equivalent OsOs8W4 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.78 Å) W–Os bond lengths. Os2- is bonded to four equivalent W6+ and eight equivalent Os2- atoms to form OsOs8W4 cuboctahedra that share corners with four equivalent WOs12 cuboctahedra, corners with fourteen equivalent OsOs8W4 cuboctahedra, edges with six equivalent WOs12 cuboctahedra, edges with twelve equivalent OsOs8W4 cuboctahedra, faces with four equivalent WOs12 cuboctahedra, and faces with sixteen equivalent OsOs8W4 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.73–2.79 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1186374

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; Os3W; Os-W

OSTI Identifier:: 1676537

DOI:: https://doi.org/10.17188/1676537

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                    The Materials Project. Materials Data on Os3W by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676537.

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                    The Materials Project. Materials Data on Os3W by Materials Project.  United States.  doi:https://doi.org/10.17188/1676537

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                    The Materials Project. 2020.  
"Materials Data on Os3W by Materials Project".  United States.  doi:https://doi.org/10.17188/1676537.  https://www.osti.gov/servlets/purl/1676537. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1676537,

  title        = {Materials Data on Os3W by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WOs3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W6+ is bonded to twelve equivalent Os2- atoms to form WOs12 cuboctahedra that share corners with six equivalent WOs12 cuboctahedra, corners with twelve equivalent OsOs8W4 cuboctahedra, edges with eighteen equivalent OsOs8W4 cuboctahedra, faces with eight equivalent WOs12 cuboctahedra, and faces with twelve equivalent OsOs8W4 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.78 Å) W–Os bond lengths. Os2- is bonded to four equivalent W6+ and eight equivalent Os2- atoms to form OsOs8W4 cuboctahedra that share corners with four equivalent WOs12 cuboctahedra, corners with fourteen equivalent OsOs8W4 cuboctahedra, edges with six equivalent WOs12 cuboctahedra, edges with twelve equivalent OsOs8W4 cuboctahedra, faces with four equivalent WOs12 cuboctahedra, and faces with sixteen equivalent OsOs8W4 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.73–2.79 Å.},

  doi          = {10.17188/1676537},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1676537

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