Materials Data on Nb3Au by Materials Project

doi:10.17188/1751254

Title: Materials Data on Nb3Au by Materials Project

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Abstract

Nb3Au crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Nb and four equivalent Au atoms. Both Nb–Nb bond lengths are 2.92 Å. There are two shorter (2.91 Å) and two longer (3.21 Å) Nb–Au bond lengths. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to eight Nb atoms. All Nb–Nb bond lengths are 2.83 Å. Au is bonded to eight equivalent Nb and four equivalent Au atoms to form a mixture of distorted face and corner-sharing AuNb8Au4 cuboctahedra. All Au–Au bond lengths are 2.83 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1220645

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; Nb3Au; Au-Nb

OSTI Identifier:: 1751254

DOI:: https://doi.org/10.17188/1751254

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                    The Materials Project. Materials Data on Nb3Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751254.

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                    The Materials Project. Materials Data on Nb3Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1751254

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                    The Materials Project. 2020.  
"Materials Data on Nb3Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1751254.  https://www.osti.gov/servlets/purl/1751254. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1751254,

  title        = {Materials Data on Nb3Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb3Au crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Nb and four equivalent Au atoms. Both Nb–Nb bond lengths are 2.92 Å. There are two shorter (2.91 Å) and two longer (3.21 Å) Nb–Au bond lengths. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to eight Nb atoms. All Nb–Nb bond lengths are 2.83 Å. Au is bonded to eight equivalent Nb and four equivalent Au atoms to form a mixture of distorted face and corner-sharing AuNb8Au4 cuboctahedra. All Au–Au bond lengths are 2.83 Å.},

  doi          = {10.17188/1751254},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751254

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