Materials Data on Nd2Se3 by Materials Project

doi:10.17188/1206351

Title: Materials Data on Nd2Se3 by Materials Project

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Abstract

Nd2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.96–3.30 Å. In the second Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.99–3.16 Å. In the third Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 3.00–3.23 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeNd5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Nd3+ atoms. In the third Se2- site, Se2- is bonded to five Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeNd5 squaremore » pyramids.« less

Authors:: The Materials Project

Publication Date:: Fri May 19 00:00:00 EDT 2017

Other Number(s):: mp-32688

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; Nd2Se3; Nd-Se

OSTI Identifier:: 1206351

DOI:: https://doi.org/10.17188/1206351

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                    The Materials Project. Materials Data on Nd2Se3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1206351.

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                    The Materials Project. Materials Data on Nd2Se3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206351

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                    The Materials Project. 2017.  
"Materials Data on Nd2Se3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206351.  https://www.osti.gov/servlets/purl/1206351. Pub date:Fri May 19 00:00:00 EDT 2017

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@article{osti_1206351,

  title        = {Materials Data on Nd2Se3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.96–3.30 Å. In the second Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.99–3.16 Å. In the third Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 3.00–3.23 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeNd5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Nd3+ atoms. In the third Se2- site, Se2- is bonded to five Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeNd5 square pyramids.},

  doi          = {10.17188/1206351},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 19 00:00:00 EDT 2017},

  month        = {Fri May 19 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1206351

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