Materials Data on TaNiTe2 by Materials Project

doi:10.17188/1195009

Title: Materials Data on TaNiTe2 by Materials Project

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Abstract

TaNiTe2 crystallizes in the orthorhombic Pmna space group. The structure is two-dimensional and consists of one TaNiTe2 sheet oriented in the (0, 1, 0) direction. Ta3+ is bonded in a 6-coordinate geometry to four Te2- atoms. There are two shorter (2.80 Å) and two longer (2.84 Å) Ta–Te bond lengths. Ni1+ is bonded to four Te2- atoms to form a mixture of distorted corner and edge-sharing NiTe4 trigonal pyramids. There are two shorter (2.57 Å) and two longer (2.61 Å) Ni–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Ni1+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Ni1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-19810

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; TaNiTe2; Ni-Ta-Te

OSTI Identifier:: 1195009

DOI:: https://doi.org/10.17188/1195009

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                    The Materials Project. Materials Data on TaNiTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195009.

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                    The Materials Project. Materials Data on TaNiTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195009

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                    The Materials Project. 2020.  
"Materials Data on TaNiTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195009.  https://www.osti.gov/servlets/purl/1195009. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1195009,

  title        = {Materials Data on TaNiTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaNiTe2 crystallizes in the orthorhombic Pmna space group. The structure is two-dimensional and consists of one TaNiTe2 sheet oriented in the (0, 1, 0) direction. Ta3+ is bonded in a 6-coordinate geometry to four Te2- atoms. There are two shorter (2.80 Å) and two longer (2.84 Å) Ta–Te bond lengths. Ni1+ is bonded to four Te2- atoms to form a mixture of distorted corner and edge-sharing NiTe4 trigonal pyramids. There are two shorter (2.57 Å) and two longer (2.61 Å) Ni–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Ni1+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Ni1+ atoms.},

  doi          = {10.17188/1195009},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195009

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