Materials Data on Nd2Te4O11 by Materials Project

doi:10.17188/1263087

Title: Materials Data on Nd2Te4O11 by Materials Project

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Abstract

Nd2Te4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.68 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.41 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.69 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-5121

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; Nd2Te4O11; Nd-O-Te

OSTI Identifier:: 1263087

DOI:: https://doi.org/10.17188/1263087

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                    The Materials Project. Materials Data on Nd2Te4O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263087.

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                    The Materials Project. Materials Data on Nd2Te4O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263087

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                    The Materials Project. 2020.  
"Materials Data on Nd2Te4O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263087.  https://www.osti.gov/servlets/purl/1263087. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1263087,

  title        = {Materials Data on Nd2Te4O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd2Te4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.68 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.41 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.69 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Nd3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two Te4+ atoms.},

  doi          = {10.17188/1263087},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1263087

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