Materials Data on Mn3Os by Materials Project

doi:10.17188/1722141

Title: Materials Data on Mn3Os by Materials Project

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Abstract

Mn3Os is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Os atoms to form distorted MnMn8Os4 cuboctahedra that share corners with four equivalent OsMn12 cuboctahedra, corners with fourteen MnMn8Os4 cuboctahedra, edges with six equivalent OsMn12 cuboctahedra, edges with twelve MnMn8Os4 cuboctahedra, faces with four equivalent OsMn12 cuboctahedra, and faces with sixteen MnMn8Os4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.64 Å. There are two shorter (2.55 Å) and two longer (2.57 Å) Mn–Os bond lengths. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Os atoms to form distorted MnMn8Os4 cuboctahedra that share corners with four equivalent OsMn12 cuboctahedra, corners with fourteen MnMn8Os4 cuboctahedra, edges with six equivalent OsMn12 cuboctahedra, edges with twelve equivalent MnMn8Os4 cuboctahedra, faces with four equivalent OsMn12 cuboctahedra, and faces with sixteen MnMn8Os4 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.57 Å) Mn–Os bond lengths. Os is bonded to twelve Mn atoms to form OsMn12 cuboctahedra that share corners with six equivalent OsMn12 cuboctahedra, corners withmore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1185935

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; Mn3Os; Mn-Os

OSTI Identifier:: 1722141

DOI:: https://doi.org/10.17188/1722141

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                    The Materials Project. Materials Data on Mn3Os by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722141.

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                    The Materials Project. Materials Data on Mn3Os by Materials Project.  United States.  doi:https://doi.org/10.17188/1722141

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                    The Materials Project. 2020.  
"Materials Data on Mn3Os by Materials Project".  United States.  doi:https://doi.org/10.17188/1722141.  https://www.osti.gov/servlets/purl/1722141. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1722141,

  title        = {Materials Data on Mn3Os by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3Os is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Mn and four equivalent Os atoms to form distorted MnMn8Os4 cuboctahedra that share corners with four equivalent OsMn12 cuboctahedra, corners with fourteen MnMn8Os4 cuboctahedra, edges with six equivalent OsMn12 cuboctahedra, edges with twelve MnMn8Os4 cuboctahedra, faces with four equivalent OsMn12 cuboctahedra, and faces with sixteen MnMn8Os4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.64 Å. There are two shorter (2.55 Å) and two longer (2.57 Å) Mn–Os bond lengths. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Os atoms to form distorted MnMn8Os4 cuboctahedra that share corners with four equivalent OsMn12 cuboctahedra, corners with fourteen MnMn8Os4 cuboctahedra, edges with six equivalent OsMn12 cuboctahedra, edges with twelve equivalent MnMn8Os4 cuboctahedra, faces with four equivalent OsMn12 cuboctahedra, and faces with sixteen MnMn8Os4 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.57 Å) Mn–Os bond lengths. Os is bonded to twelve Mn atoms to form OsMn12 cuboctahedra that share corners with six equivalent OsMn12 cuboctahedra, corners with twelve equivalent MnMn8Os4 cuboctahedra, edges with eighteen MnMn8Os4 cuboctahedra, faces with eight equivalent OsMn12 cuboctahedra, and faces with twelve MnMn8Os4 cuboctahedra.},

  doi          = {10.17188/1722141},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1722141

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