Materials Data on La2CuTe4 by Materials Project

doi:10.17188/1683232

Title: Materials Data on La2CuTe4 by Materials Project

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Abstract

La2CuTe4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of La–Te bond distances ranging from 3.26–3.61 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of La–Te bond distances ranging from 3.18–3.57 Å. Cu2+ is bonded to four Te2- atoms to form distorted corner-sharing CuTe4 trigonal pyramids. There are a spread of Cu–Te bond distances ranging from 2.60–2.81 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Cu2+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to four La3+ and one Cu2+ atom. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to four La3+ and one Cu2+ atom. In the fourth Te2- site, Te2- is bonded in a 4-coordinate geometry to four La3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1223340

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; La2CuTe4; Cu-La-Te

OSTI Identifier:: 1683232

DOI:: https://doi.org/10.17188/1683232

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                    The Materials Project. Materials Data on La2CuTe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683232.

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                    The Materials Project. Materials Data on La2CuTe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683232

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                    The Materials Project. 2020.  
"Materials Data on La2CuTe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683232.  https://www.osti.gov/servlets/purl/1683232. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1683232,

  title        = {Materials Data on La2CuTe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2CuTe4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of La–Te bond distances ranging from 3.26–3.61 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of La–Te bond distances ranging from 3.18–3.57 Å. Cu2+ is bonded to four Te2- atoms to form distorted corner-sharing CuTe4 trigonal pyramids. There are a spread of Cu–Te bond distances ranging from 2.60–2.81 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Cu2+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to four La3+ and one Cu2+ atom. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to four La3+ and one Cu2+ atom. In the fourth Te2- site, Te2- is bonded in a 4-coordinate geometry to four La3+ atoms.},

  doi          = {10.17188/1683232},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1683232

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