Materials Data on Zr9Pt11 by Materials Project

doi:10.17188/1205216

Title: Materials Data on Zr9Pt11 by Materials Project

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Abstract

Zr9Pt11 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent Zr+2.44+ sites. In the first Zr+2.44+ site, Zr+2.44+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Zr–Pt bond distances ranging from 2.79–3.22 Å. In the second Zr+2.44+ site, Zr+2.44+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. There are a spread of Zr–Pt bond distances ranging from 2.76–2.85 Å. In the third Zr+2.44+ site, Zr+2.44+ is bonded in a 10-coordinate geometry to ten Pt2- atoms. There are eight shorter (3.03 Å) and two longer (3.43 Å) Zr–Pt bond lengths. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 7-coordinate geometry to seven Zr+2.44+ atoms. In the second Pt2- site, Pt2- is bonded in a 8-coordinate geometry to eight Zr+2.44+ atoms. In the third Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to six Zr+2.44+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-30859

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; Zr9Pt11; Pt-Zr

OSTI Identifier:: 1205216

DOI:: https://doi.org/10.17188/1205216

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                    The Materials Project. Materials Data on Zr9Pt11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205216.

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                    The Materials Project. Materials Data on Zr9Pt11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205216

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                    The Materials Project. 2020.  
"Materials Data on Zr9Pt11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205216.  https://www.osti.gov/servlets/purl/1205216. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1205216,

  title        = {Materials Data on Zr9Pt11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr9Pt11 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent Zr+2.44+ sites. In the first Zr+2.44+ site, Zr+2.44+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Zr–Pt bond distances ranging from 2.79–3.22 Å. In the second Zr+2.44+ site, Zr+2.44+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. There are a spread of Zr–Pt bond distances ranging from 2.76–2.85 Å. In the third Zr+2.44+ site, Zr+2.44+ is bonded in a 10-coordinate geometry to ten Pt2- atoms. There are eight shorter (3.03 Å) and two longer (3.43 Å) Zr–Pt bond lengths. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 7-coordinate geometry to seven Zr+2.44+ atoms. In the second Pt2- site, Pt2- is bonded in a 8-coordinate geometry to eight Zr+2.44+ atoms. In the third Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to six Zr+2.44+ atoms.},

  doi          = {10.17188/1205216},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205216

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