Materials Data on NdAsSe by Materials Project

doi:10.17188/1284558

Title: Materials Data on NdAsSe by Materials Project

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Abstract

NdAsSe is Matlockite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are two shorter (3.18 Å) and two longer (3.30 Å) Nd–As bond lengths. There are a spread of Nd–Se bond distances ranging from 2.96–3.14 Å. As1- is bonded in a 7-coordinate geometry to four equivalent Nd3+ and three equivalent As1- atoms. There are one shorter (2.52 Å) and two longer (2.87 Å) As–As bond lengths. Se2- is bonded in a 5-coordinate geometry to five equivalent Nd3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-690674

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; NdAsSe; As-Nd-Se

OSTI Identifier:: 1284558

DOI:: https://doi.org/10.17188/1284558

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                    The Materials Project. Materials Data on NdAsSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284558.

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                    The Materials Project. Materials Data on NdAsSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1284558

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                    The Materials Project. 2020.  
"Materials Data on NdAsSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1284558.  https://www.osti.gov/servlets/purl/1284558. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1284558,

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

  author       = {The Materials Project},

  abstractNote = {NdAsSe is Matlockite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are two shorter (3.18 Å) and two longer (3.30 Å) Nd–As bond lengths. There are a spread of Nd–Se bond distances ranging from 2.96–3.14 Å. As1- is bonded in a 7-coordinate geometry to four equivalent Nd3+ and three equivalent As1- atoms. There are one shorter (2.52 Å) and two longer (2.87 Å) As–As bond lengths. Se2- is bonded in a 5-coordinate geometry to five equivalent Nd3+ atoms.},

  doi          = {10.17188/1284558},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1284558

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