Materials Data on NbIr by Materials Project

doi:10.17188/1722040

Title: Materials Data on NbIr by Materials Project

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Abstract

IrNb is Tetraauricupride-like structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight Ir atoms to form a mixture of distorted corner, edge, and face-sharing NbIr8 cuboctahedra. There are a spread of Nb–Ir bond distances ranging from 2.80–2.86 Å. In the second Nb site, Nb is bonded to eight Ir atoms to form a mixture of distorted corner, edge, and face-sharing NbIr8 cuboctahedra. There are a spread of Nb–Ir bond distances ranging from 2.80–2.84 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight Nb atoms to form a mixture of distorted corner, edge, and face-sharing IrNb8 cuboctahedra. In the second Ir site, Ir is bonded to eight Nb atoms to form a mixture of distorted corner, edge, and face-sharing IrNb8 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1095683

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; NbIr; Ir-Nb

OSTI Identifier:: 1722040

DOI:: https://doi.org/10.17188/1722040

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                    The Materials Project. Materials Data on NbIr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722040.

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                    The Materials Project. Materials Data on NbIr by Materials Project.  United States.  doi:https://doi.org/10.17188/1722040

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                    The Materials Project. 2020.  
"Materials Data on NbIr by Materials Project".  United States.  doi:https://doi.org/10.17188/1722040.  https://www.osti.gov/servlets/purl/1722040. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1722040,

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

  author       = {The Materials Project},

  abstractNote = {IrNb is Tetraauricupride-like structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight Ir atoms to form a mixture of distorted corner, edge, and face-sharing NbIr8 cuboctahedra. There are a spread of Nb–Ir bond distances ranging from 2.80–2.86 Å. In the second Nb site, Nb is bonded to eight Ir atoms to form a mixture of distorted corner, edge, and face-sharing NbIr8 cuboctahedra. There are a spread of Nb–Ir bond distances ranging from 2.80–2.84 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight Nb atoms to form a mixture of distorted corner, edge, and face-sharing IrNb8 cuboctahedra. In the second Ir site, Ir is bonded to eight Nb atoms to form a mixture of distorted corner, edge, and face-sharing IrNb8 cuboctahedra.},

  doi          = {10.17188/1722040},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722040

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