Materials Data on Tc2Te5 by Materials Project

doi:10.17188/1682847

Title: Materials Data on Tc2Te5 by Materials Project

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Abstract

Tc2Te5 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two Tc2Te5 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Tc5+ sites. In the first Tc5+ site, Tc5+ is bonded to five Te2- atoms to form edge-sharing TcTe5 square pyramids. There are a spread of Tc–Te bond distances ranging from 2.70–2.77 Å. In the second Tc5+ site, Tc5+ is bonded to five Te2- atoms to form edge-sharing TcTe5 square pyramids. There are a spread of Tc–Te bond distances ranging from 2.69–2.72 Å. In the third Tc5+ site, Tc5+ is bonded to five Te2- atoms to form edge-sharing TcTe5 square pyramids. There are a spread of Tc–Te bond distances ranging from 2.68–2.75 Å. There are eight inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to three Tc5+ atoms. In the second Te2- site, Te2- is bonded in a square co-planar geometry to four Te2- atoms. There are two shorter (3.02 Å) and two longer (3.06 Å) Te–Te bond lengths. In the third Te2- site, Te2- is bonded in a 1-coordinate geometry to one Tc5+ and one Te2- atom. In the fourth Te2- site, Te2- ismore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1204799

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; Tc2Te5; Tc-Te

OSTI Identifier:: 1682847

DOI:: https://doi.org/10.17188/1682847

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                    The Materials Project. Materials Data on Tc2Te5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682847.

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                    The Materials Project. Materials Data on Tc2Te5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682847

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                    The Materials Project. 2020.  
"Materials Data on Tc2Te5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682847.  https://www.osti.gov/servlets/purl/1682847. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1682847,

  title        = {Materials Data on Tc2Te5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tc2Te5 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two Tc2Te5 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Tc5+ sites. In the first Tc5+ site, Tc5+ is bonded to five Te2- atoms to form edge-sharing TcTe5 square pyramids. There are a spread of Tc–Te bond distances ranging from 2.70–2.77 Å. In the second Tc5+ site, Tc5+ is bonded to five Te2- atoms to form edge-sharing TcTe5 square pyramids. There are a spread of Tc–Te bond distances ranging from 2.69–2.72 Å. In the third Tc5+ site, Tc5+ is bonded to five Te2- atoms to form edge-sharing TcTe5 square pyramids. There are a spread of Tc–Te bond distances ranging from 2.68–2.75 Å. There are eight inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to three Tc5+ atoms. In the second Te2- site, Te2- is bonded in a square co-planar geometry to four Te2- atoms. There are two shorter (3.02 Å) and two longer (3.06 Å) Te–Te bond lengths. In the third Te2- site, Te2- is bonded in a 1-coordinate geometry to one Tc5+ and one Te2- atom. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to three Tc5+ atoms. In the fifth Te2- site, Te2- is bonded in a 1-coordinate geometry to one Tc5+ atom. In the sixth Te2- site, Te2- is bonded in a 6-coordinate geometry to three Tc5+ atoms. In the seventh Te2- site, Te2- is bonded in a 6-coordinate geometry to three Tc5+ atoms. In the eighth Te2- site, Te2- is bonded in a 1-coordinate geometry to one Tc5+ and one Te2- atom.},

  doi          = {10.17188/1682847},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1682847

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