Materials Data on Ce4Te3N2 by Materials Project

doi:10.17188/1280020

Title: Materials Data on Ce4Te3N2 by Materials Project

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Abstract

Ce4N2Te3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 2-coordinate geometry to two equivalent N3- and five Te2- atoms. There are one shorter (2.28 Å) and one longer (2.34 Å) Ce–N bond lengths. There are a spread of Ce–Te bond distances ranging from 3.32–3.50 Å. In the second Ce3+ site, Ce3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four Te2- atoms. Both Ce–N bond lengths are 2.32 Å. There are a spread of Ce–Te bond distances ranging from 3.14–3.44 Å. In the third Ce3+ site, Ce3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four equivalent Te2- atoms. Both Ce–N bond lengths are 2.34 Å. There are two shorter (3.24 Å) and two longer (3.27 Å) Ce–Te bond lengths. N3- is bonded to four Ce3+ atoms to form NCe4 tetrahedra that share corners with four equivalent TeCe6 octahedra, an edgeedge with one TeCe6 octahedra, and edges with two equivalent NCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–64°. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded tomore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-641183

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; Ce4Te3N2; Ce-N-Te

OSTI Identifier:: 1280020

DOI:: https://doi.org/10.17188/1280020

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                    The Materials Project. Materials Data on Ce4Te3N2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280020.

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                    The Materials Project. Materials Data on Ce4Te3N2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280020

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                    The Materials Project. 2020.  
"Materials Data on Ce4Te3N2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280020.  https://www.osti.gov/servlets/purl/1280020. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1280020,

  title        = {Materials Data on Ce4Te3N2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce4N2Te3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 2-coordinate geometry to two equivalent N3- and five Te2- atoms. There are one shorter (2.28 Å) and one longer (2.34 Å) Ce–N bond lengths. There are a spread of Ce–Te bond distances ranging from 3.32–3.50 Å. In the second Ce3+ site, Ce3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four Te2- atoms. Both Ce–N bond lengths are 2.32 Å. There are a spread of Ce–Te bond distances ranging from 3.14–3.44 Å. In the third Ce3+ site, Ce3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four equivalent Te2- atoms. Both Ce–N bond lengths are 2.34 Å. There are two shorter (3.24 Å) and two longer (3.27 Å) Ce–Te bond lengths. N3- is bonded to four Ce3+ atoms to form NCe4 tetrahedra that share corners with four equivalent TeCe6 octahedra, an edgeedge with one TeCe6 octahedra, and edges with two equivalent NCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–64°. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six Ce3+ atoms to form distorted TeCe6 octahedra that share corners with eight equivalent NCe4 tetrahedra, edges with two equivalent NCe4 tetrahedra, and faces with two equivalent TeCe6 octahedra. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to six Ce3+ atoms.},

  doi          = {10.17188/1280020},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280020

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