Materials Data on LuAsPt by Materials Project

doi:10.17188/1674860

Title: Materials Data on LuAsPt by Materials Project

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Abstract

LuPtAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing LuAs6Pt6 cuboctahedra. All Lu–Pt bond lengths are 3.22 Å. All Lu–As bond lengths are 3.00 Å. In the second Lu3+ site, Lu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of distorted edge and face-sharing LuAs6Pt6 cuboctahedra. All Lu–Pt bond lengths are 3.00 Å. All Lu–As bond lengths are 3.22 Å. Pt2- is bonded in a 9-coordinate geometry to six Lu3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.47 Å. As1- is bonded in a 9-coordinate geometry to six Lu3+ and three equivalent Pt2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1102150

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; LuAsPt; As-Lu-Pt

OSTI Identifier:: 1674860

DOI:: https://doi.org/10.17188/1674860

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                    The Materials Project. Materials Data on LuAsPt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674860.

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                    The Materials Project. Materials Data on LuAsPt by Materials Project.  United States.  doi:https://doi.org/10.17188/1674860

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                    The Materials Project. 2020.  
"Materials Data on LuAsPt by Materials Project".  United States.  doi:https://doi.org/10.17188/1674860.  https://www.osti.gov/servlets/purl/1674860. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1674860,

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

  author       = {The Materials Project},

  abstractNote = {LuPtAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing LuAs6Pt6 cuboctahedra. All Lu–Pt bond lengths are 3.22 Å. All Lu–As bond lengths are 3.00 Å. In the second Lu3+ site, Lu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of distorted edge and face-sharing LuAs6Pt6 cuboctahedra. All Lu–Pt bond lengths are 3.00 Å. All Lu–As bond lengths are 3.22 Å. Pt2- is bonded in a 9-coordinate geometry to six Lu3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.47 Å. As1- is bonded in a 9-coordinate geometry to six Lu3+ and three equivalent Pt2- atoms.},

  doi          = {10.17188/1674860},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1674860

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