Materials Data on Nd5CuSe8 by Materials Project

doi:10.17188/1207155

Title: Materials Data on Nd5CuSe8 by Materials Project

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Abstract

Nd5CuSe8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.93–3.37 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.95 Å) and four longer (3.22 Å) Nd–Se bond lengths. Cu1+ is bonded in a 4-coordinate geometry to eight Se2- atoms. There are four shorter (2.78 Å) and four longer (3.35 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to five Nd3+ and one Cu1+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Nd3+ and one Cu1+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-36252

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; Nd5CuSe8; Cu-Nd-Se

OSTI Identifier:: 1207155

DOI:: https://doi.org/10.17188/1207155

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                    The Materials Project. Materials Data on Nd5CuSe8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207155.

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                    The Materials Project. Materials Data on Nd5CuSe8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207155

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                    The Materials Project. 2020.  
"Materials Data on Nd5CuSe8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207155.  https://www.osti.gov/servlets/purl/1207155. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1207155,

  title        = {Materials Data on Nd5CuSe8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd5CuSe8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.93–3.37 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.95 Å) and four longer (3.22 Å) Nd–Se bond lengths. Cu1+ is bonded in a 4-coordinate geometry to eight Se2- atoms. There are four shorter (2.78 Å) and four longer (3.35 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to five Nd3+ and one Cu1+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Nd3+ and one Cu1+ atom.},

  doi          = {10.17188/1207155},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207155

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