Materials Data on Nb5Pt3O by Materials Project

doi:10.17188/1192555

Title: Materials Data on Nb5Pt3O by Materials Project

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Abstract

Nb5Pt3O crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 7-coordinate geometry to five equivalent Pt and two equivalent O atoms. There are a spread of Nb–Pt bond distances ranging from 2.84–2.89 Å. Both Nb–O bond lengths are 2.30 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to two equivalent Nb and six equivalent Pt atoms. Both Nb–Nb bond lengths are 2.54 Å. All Nb–Pt bond lengths are 2.76 Å. Pt is bonded in a 9-coordinate geometry to nine Nb atoms. O is bonded to six equivalent Nb atoms to form face-sharing ONb6 octahedra.

Publication Date:: 2020-07-17

Other Number(s):: mp-17525

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Nb-O-Pt; Nb5Pt3O; crystal structure

OSTI Identifier:: 1192555

DOI:: https://doi.org/10.17188/1192555

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                    Materials Data on Nb5Pt3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192555.

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                    Materials Data on Nb5Pt3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1192555

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                    2020.  
"Materials Data on Nb5Pt3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1192555.  https://www.osti.gov/servlets/purl/1192555. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1192555,

  title        = {Materials Data on Nb5Pt3O by Materials Project},

  
  abstractNote = {Nb5Pt3O crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 7-coordinate geometry to five equivalent Pt and two equivalent O atoms. There are a spread of Nb–Pt bond distances ranging from 2.84–2.89 Å. Both Nb–O bond lengths are 2.30 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to two equivalent Nb and six equivalent Pt atoms. Both Nb–Nb bond lengths are 2.54 Å. All Nb–Pt bond lengths are 2.76 Å. Pt is bonded in a 9-coordinate geometry to nine Nb atoms. O is bonded to six equivalent Nb atoms to form face-sharing ONb6 octahedra.},

  doi          = {10.17188/1192555},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192555

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