Materials Data on Ta2Te3 by Materials Project

doi:10.17188/1266612

Title: Materials Data on Ta2Te3 by Materials Project

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Abstract

Ta2Te3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ta2Te3 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Ta3+ sites. In the first Ta3+ site, Ta3+ is bonded to six Te2- atoms to form distorted TaTe6 pentagonal pyramids that share a cornercorner with one TaTe5 trigonal bipyramid, edges with four equivalent TaTe6 pentagonal pyramids, edges with two equivalent TaTe5 trigonal bipyramids, and a faceface with one TaTe6 pentagonal pyramid. There are two shorter (2.81 Å) and four longer (2.90 Å) Ta–Te bond lengths. In the second Ta3+ site, Ta3+ is bonded to five Te2- atoms to form distorted TaTe5 trigonal bipyramids that share a cornercorner with one TaTe6 pentagonal pyramid, edges with two equivalent TaTe6 pentagonal pyramids, and edges with four equivalent TaTe5 trigonal bipyramids. There are four shorter (2.81 Å) and one longer (2.89 Å) Ta–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Ta3+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ta3+ atoms. In the third Te2- site, Te2- is bonded in a 4-coordinate geometrymore » to four equivalent Ta3+ atoms.« less

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-542634

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; Ta2Te3; Ta-Te

OSTI Identifier:: 1266612

DOI:: https://doi.org/10.17188/1266612

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                    The Materials Project. Materials Data on Ta2Te3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266612.

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                    The Materials Project. Materials Data on Ta2Te3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266612

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                    The Materials Project. 2020.  
"Materials Data on Ta2Te3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266612.  https://www.osti.gov/servlets/purl/1266612. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1266612,

  title        = {Materials Data on Ta2Te3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta2Te3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ta2Te3 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Ta3+ sites. In the first Ta3+ site, Ta3+ is bonded to six Te2- atoms to form distorted TaTe6 pentagonal pyramids that share a cornercorner with one TaTe5 trigonal bipyramid, edges with four equivalent TaTe6 pentagonal pyramids, edges with two equivalent TaTe5 trigonal bipyramids, and a faceface with one TaTe6 pentagonal pyramid. There are two shorter (2.81 Å) and four longer (2.90 Å) Ta–Te bond lengths. In the second Ta3+ site, Ta3+ is bonded to five Te2- atoms to form distorted TaTe5 trigonal bipyramids that share a cornercorner with one TaTe6 pentagonal pyramid, edges with two equivalent TaTe6 pentagonal pyramids, and edges with four equivalent TaTe5 trigonal bipyramids. There are four shorter (2.81 Å) and one longer (2.89 Å) Ta–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Ta3+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ta3+ atoms. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Ta3+ atoms.},

  doi          = {10.17188/1266612},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266612

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