Materials Data on LaTe2 by Materials Project

doi:10.17188/1725232

Title: Materials Data on LaTe2 by Materials Project

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Abstract

LaTe2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.29–3.54 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.29–3.55 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.34–3.45 Å. There are six inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Te+1.50- atoms. There are two shorter (3.05 Å) and two longer (3.48 Å) Te–Te bond lengths. In the second Te+1.50- site, Te+1.50- is bonded in a 4-coordinate geometry to four La3+ and four equivalent Te+1.50- atoms. In the third Te+1.50- site, Te+1.50- is bonded in a 4-coordinate geometry to four La3+ and four equivalent Te+1.50- atoms. In the fourth Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted cornermore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1205384

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; LaTe2; La-Te

OSTI Identifier:: 1725232

DOI:: https://doi.org/10.17188/1725232

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                    The Materials Project. Materials Data on LaTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1725232.

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                    The Materials Project. Materials Data on LaTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1725232

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                    The Materials Project. 2020.  
"Materials Data on LaTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1725232.  https://www.osti.gov/servlets/purl/1725232. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1725232,

  title        = {Materials Data on LaTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaTe2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.29–3.54 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.29–3.55 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.34–3.45 Å. There are six inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Te+1.50- atoms. There are two shorter (3.05 Å) and two longer (3.48 Å) Te–Te bond lengths. In the second Te+1.50- site, Te+1.50- is bonded in a 4-coordinate geometry to four La3+ and four equivalent Te+1.50- atoms. In the third Te+1.50- site, Te+1.50- is bonded in a 4-coordinate geometry to four La3+ and four equivalent Te+1.50- atoms. In the fourth Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted corner and edge-sharing TeLa5 trigonal bipyramids. In the fifth Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted corner and edge-sharing TeLa5 trigonal bipyramids. In the sixth Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted corner and edge-sharing TeLa5 trigonal bipyramids.},

  doi          = {10.17188/1725232},

  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/10.17188/1725232

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