Materials Data on Nd10Se19 by Materials Project

doi:10.17188/1190811

Title: Materials Data on Nd10Se19 by Materials Project

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Abstract

Nd10Se19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.04–3.15 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.01–3.17 Å. In the third Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.04–3.24 Å. There are six inequivalent Se+1.58- sites. In the first Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the second Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four Nd3+ and two equivalent Se+1.58- atoms. There are one shorter (2.58 Å) and one longer (2.86 Å) Se–Se bond lengths. In the third Se+1.58- site, Se+1.58- is bonded in a 6-coordinate geometry to four Nd3+ and two equivalent Se+1.58- atoms. In the fourth Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to formmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-14650

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; Nd10Se19; Nd-Se

OSTI Identifier:: 1190811

DOI:: https://doi.org/10.17188/1190811

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                    The Materials Project. Materials Data on Nd10Se19 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1190811.

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                    The Materials Project. Materials Data on Nd10Se19 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190811

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                    The Materials Project. 2017.  
"Materials Data on Nd10Se19 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190811.  https://www.osti.gov/servlets/purl/1190811. Pub date:Fri May 19 00:00:00 EDT 2017

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@article{osti_1190811,

  title        = {Materials Data on Nd10Se19 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd10Se19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.04–3.15 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.01–3.17 Å. In the third Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of Nd–Se bond distances ranging from 3.04–3.24 Å. There are six inequivalent Se+1.58- sites. In the first Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the second Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four Nd3+ and two equivalent Se+1.58- atoms. There are one shorter (2.58 Å) and one longer (2.86 Å) Se–Se bond lengths. In the third Se+1.58- site, Se+1.58- is bonded in a 6-coordinate geometry to four Nd3+ and two equivalent Se+1.58- atoms. In the fourth Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the fifth Se+1.58- site, Se+1.58- is bonded to five Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids. In the sixth Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four equivalent Nd3+ atoms.},

  doi          = {10.17188/1190811},

  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/10.17188/1190811

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