Materials Data on ZrGeTe4 by Materials Project

doi:10.17188/1189651

Title: Materials Data on ZrGeTe4 by Materials Project

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Abstract

ZrGeTe4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four ZrGeTe4 ribbons oriented in the (1, 0, 0) direction. Zr4+ is bonded to seven Te2- atoms to form distorted face-sharing ZrTe7 pentagonal bipyramids. There are a spread of Zr–Te bond distances ranging from 2.98–3.09 Å. Ge4+ is bonded in a 3-coordinate geometry to three Te2- atoms. There are two shorter (2.72 Å) and one longer (2.73 Å) Ge–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and one Ge4+ atom. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to one Zr4+ and two equivalent Ge4+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-13542

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; ZrGeTe4; Ge-Te-Zr

OSTI Identifier:: 1189651

DOI:: https://doi.org/10.17188/1189651

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                    The Materials Project. Materials Data on ZrGeTe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189651.

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                    The Materials Project. Materials Data on ZrGeTe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189651

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                    The Materials Project. 2020.  
"Materials Data on ZrGeTe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189651.  https://www.osti.gov/servlets/purl/1189651. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1189651,

  title        = {Materials Data on ZrGeTe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrGeTe4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four ZrGeTe4 ribbons oriented in the (1, 0, 0) direction. Zr4+ is bonded to seven Te2- atoms to form distorted face-sharing ZrTe7 pentagonal bipyramids. There are a spread of Zr–Te bond distances ranging from 2.98–3.09 Å. Ge4+ is bonded in a 3-coordinate geometry to three Te2- atoms. There are two shorter (2.72 Å) and one longer (2.73 Å) Ge–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Zr4+ and one Ge4+ atom. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to one Zr4+ and two equivalent Ge4+ atoms.},

  doi          = {10.17188/1189651},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189651

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