Materials Data on Ta4FeTe4 by Materials Project

doi:10.17188/1203024

Title: Materials Data on Ta4FeTe4 by Materials Project

Dataset
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Abstract

Ta4FeTe4 crystallizes in the orthorhombic Pbam space group. The structure is one-dimensional and consists of two Ta4FeTe4 ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Fe and four Te atoms. Both Ta–Fe bond lengths are 2.59 Å. There are two shorter (2.86 Å) and two longer (2.95 Å) Ta–Te bond lengths. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Fe and four Te atoms. Both Ta–Fe bond lengths are 2.60 Å. There are two shorter (2.86 Å) and two longer (2.96 Å) Ta–Te bond lengths. In the third Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Fe and four Te atoms. Both Ta–Fe bond lengths are 2.60 Å. There are two shorter (2.86 Å) and two longer (2.96 Å) Ta–Te bond lengths. Fe is bonded in a 10-coordinate geometry to eight Ta and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.43 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms. The Te–Tamore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-28964

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; Ta4FeTe4; Fe-Ta-Te

OSTI Identifier:: 1203024

DOI:: https://doi.org/10.17188/1203024

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                    The Materials Project. Materials Data on Ta4FeTe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203024.

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                    The Materials Project. Materials Data on Ta4FeTe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203024

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                    The Materials Project. 2020.  
"Materials Data on Ta4FeTe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203024.  https://www.osti.gov/servlets/purl/1203024. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1203024,

  title        = {Materials Data on Ta4FeTe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta4FeTe4 crystallizes in the orthorhombic Pbam space group. The structure is one-dimensional and consists of two Ta4FeTe4 ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Fe and four Te atoms. Both Ta–Fe bond lengths are 2.59 Å. There are two shorter (2.86 Å) and two longer (2.95 Å) Ta–Te bond lengths. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Fe and four Te atoms. Both Ta–Fe bond lengths are 2.60 Å. There are two shorter (2.86 Å) and two longer (2.96 Å) Ta–Te bond lengths. In the third Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Fe and four Te atoms. Both Ta–Fe bond lengths are 2.60 Å. There are two shorter (2.86 Å) and two longer (2.96 Å) Ta–Te bond lengths. Fe is bonded in a 10-coordinate geometry to eight Ta and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.43 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms. The Te–Ta bond length is 2.86 Å. In the second Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms. In the third Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms.},

  doi          = {10.17188/1203024},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203024

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