Materials Data on Zr3Te by Materials Project

doi:10.17188/1192783

Title: Materials Data on Zr3Te by Materials Project

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Abstract

Zr3Te crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Te atoms. There are one shorter (2.91 Å) and one longer (3.05 Å) Zr–Te bond lengths. In the second Zr site, Zr is bonded in a 3-coordinate geometry to three equivalent Te atoms. There are a spread of Zr–Te bond distances ranging from 2.92–3.12 Å. In the third Zr site, Zr is bonded to four equivalent Te atoms to form a mixture of distorted corner and edge-sharing ZrTe4 tetrahedra. There are a spread of Zr–Te bond distances ranging from 2.93–2.98 Å. Te is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1793

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; Zr3Te; Te-Zr

OSTI Identifier:: 1192783

DOI:: https://doi.org/10.17188/1192783

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                    The Materials Project. Materials Data on Zr3Te by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192783.

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                    The Materials Project. Materials Data on Zr3Te by Materials Project.  United States.  doi:https://doi.org/10.17188/1192783

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                    The Materials Project. 2020.  
"Materials Data on Zr3Te by Materials Project".  United States.  doi:https://doi.org/10.17188/1192783.  https://www.osti.gov/servlets/purl/1192783. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1192783,

  title        = {Materials Data on Zr3Te by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr3Te crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Te atoms. There are one shorter (2.91 Å) and one longer (3.05 Å) Zr–Te bond lengths. In the second Zr site, Zr is bonded in a 3-coordinate geometry to three equivalent Te atoms. There are a spread of Zr–Te bond distances ranging from 2.92–3.12 Å. In the third Zr site, Zr is bonded to four equivalent Te atoms to form a mixture of distorted corner and edge-sharing ZrTe4 tetrahedra. There are a spread of Zr–Te bond distances ranging from 2.93–2.98 Å. Te is bonded in a 9-coordinate geometry to nine Zr atoms.},

  doi          = {10.17188/1192783},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192783

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