Materials Data on La4Te3N2 by Materials Project

doi:10.17188/1280003

Title: Materials Data on La4Te3N2 by Materials Project

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Abstract

La4N2Te3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted L-shaped geometry to two equivalent N3- and five Te2- atoms. There are one shorter (2.33 Å) and one longer (2.42 Å) La–N bond lengths. There are a spread of La–Te bond distances ranging from 3.40–3.60 Å. In the second La3+ site, La3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four Te2- atoms. Both La–N bond lengths are 2.38 Å. There are a spread of La–Te bond distances ranging from 3.18–3.57 Å. In the third La3+ site, La3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four equivalent Te2- atoms. Both La–N bond lengths are 2.37 Å. There are two shorter (3.31 Å) and two longer (3.38 Å) La–Te bond lengths. N3- is bonded to four La3+ atoms to form NLa4 tetrahedra that share corners with four equivalent TeLa6 octahedra, an edgeedge with one TeLa6 octahedra, and edges with two equivalent NLa4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–65°. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-641010

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; La4Te3N2; La-N-Te

OSTI Identifier:: 1280003

DOI:: https://doi.org/10.17188/1280003

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                    The Materials Project. Materials Data on La4Te3N2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280003.

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                    The Materials Project. Materials Data on La4Te3N2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280003

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                    The Materials Project. 2020.  
"Materials Data on La4Te3N2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280003.  https://www.osti.gov/servlets/purl/1280003. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1280003,

  title        = {Materials Data on La4Te3N2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La4N2Te3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted L-shaped geometry to two equivalent N3- and five Te2- atoms. There are one shorter (2.33 Å) and one longer (2.42 Å) La–N bond lengths. There are a spread of La–Te bond distances ranging from 3.40–3.60 Å. In the second La3+ site, La3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four Te2- atoms. Both La–N bond lengths are 2.38 Å. There are a spread of La–Te bond distances ranging from 3.18–3.57 Å. In the third La3+ site, La3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four equivalent Te2- atoms. Both La–N bond lengths are 2.37 Å. There are two shorter (3.31 Å) and two longer (3.38 Å) La–Te bond lengths. N3- is bonded to four La3+ atoms to form NLa4 tetrahedra that share corners with four equivalent TeLa6 octahedra, an edgeedge with one TeLa6 octahedra, and edges with two equivalent NLa4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–65°. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six La3+ atoms. In the second Te2- site, Te2- is bonded to six La3+ atoms to form distorted TeLa6 octahedra that share corners with eight equivalent NLa4 tetrahedra, edges with two equivalent NLa4 tetrahedra, and faces with two equivalent TeLa6 octahedra.},

  doi          = {10.17188/1280003},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280003

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