Materials Data on Ta(CoTe)2 by Materials Project

doi:10.17188/1281234

Title: Materials Data on Ta(CoTe)2 by Materials Project

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Abstract

Ta(CoTe)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ta(CoTe)2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 10-coordinate geometry to eight Co and two equivalent Te atoms. There are four shorter (2.56 Å) and four longer (2.84 Å) Ta–Co bond lengths. Both Ta–Te bond lengths are 2.87 Å. In the second Ta site, Ta is bonded in a 11-coordinate geometry to eight Co and three Te atoms. There are four shorter (2.64 Å) and four longer (2.71 Å) Ta–Co bond lengths. There are one shorter (2.82 Å) and two longer (3.02 Å) Ta–Te bond lengths. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to four Ta, three Co, and three Te atoms. There are a spread of Co–Co bond distances ranging from 2.56–2.86 Å. There are a spread of Co–Te bond distances ranging from 2.54–2.62 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to four Ta, three Co, and three Te atoms. There are one shorter (2.60 Å) and one longermore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-653697

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; Ta(CoTe)2; Co-Ta-Te

OSTI Identifier:: 1281234

DOI:: https://doi.org/10.17188/1281234

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                    The Materials Project. Materials Data on Ta(CoTe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281234.

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                    The Materials Project. Materials Data on Ta(CoTe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281234

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                    The Materials Project. 2020.  
"Materials Data on Ta(CoTe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281234.  https://www.osti.gov/servlets/purl/1281234. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1281234,

  title        = {Materials Data on Ta(CoTe)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta(CoTe)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ta(CoTe)2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 10-coordinate geometry to eight Co and two equivalent Te atoms. There are four shorter (2.56 Å) and four longer (2.84 Å) Ta–Co bond lengths. Both Ta–Te bond lengths are 2.87 Å. In the second Ta site, Ta is bonded in a 11-coordinate geometry to eight Co and three Te atoms. There are four shorter (2.64 Å) and four longer (2.71 Å) Ta–Co bond lengths. There are one shorter (2.82 Å) and two longer (3.02 Å) Ta–Te bond lengths. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to four Ta, three Co, and three Te atoms. There are a spread of Co–Co bond distances ranging from 2.56–2.86 Å. There are a spread of Co–Te bond distances ranging from 2.54–2.62 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to four Ta, three Co, and three Te atoms. There are one shorter (2.60 Å) and one longer (2.84 Å) Co–Co bond lengths. There are a spread of Co–Te bond distances ranging from 2.54–2.62 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to four Ta, three Co, and three Te atoms. There are one shorter (2.56 Å) and one longer (2.60 Å) Co–Co bond lengths. There are a spread of Co–Te bond distances ranging from 2.54–2.62 Å. In the fourth Co site, Co is bonded in a 10-coordinate geometry to four Ta, three Co, and three Te atoms. There are one shorter (2.64 Å) and one longer (2.71 Å) Co–Ta bond lengths. The Co–Co bond length is 2.86 Å. There are a spread of Co–Te bond distances ranging from 2.54–2.62 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 5-coordinate geometry to one Ta and four Co atoms. In the second Te site, Te is bonded in a 6-coordinate geometry to two Ta, two Co, and two equivalent Te atoms. There are one shorter (3.25 Å) and one longer (3.33 Å) Te–Te bond lengths. In the third Te site, Te is bonded in a 4-coordinate geometry to four Co atoms.},

  doi          = {10.17188/1281234},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281234

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