Materials Data on NdAs2Au by Materials Project

doi:10.17188/1732019

Title: Materials Data on NdAs2Au by Materials Project

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Abstract

NdAuAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Nd–As bond distances ranging from 3.03–3.26 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are three shorter (2.81 Å) and one longer (2.83 Å) Au–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two equivalent As3- atoms. Both As–As bond lengths are 2.64 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Au3+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1186304

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; NdAs2Au; As-Au-Nd

OSTI Identifier:: 1732019

DOI:: https://doi.org/10.17188/1732019

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                    The Materials Project. Materials Data on NdAs2Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732019.

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                    The Materials Project. Materials Data on NdAs2Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1732019

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                    The Materials Project. 2020.  
"Materials Data on NdAs2Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1732019.  https://www.osti.gov/servlets/purl/1732019. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1732019,

  title        = {Materials Data on NdAs2Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdAuAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Nd–As bond distances ranging from 3.03–3.26 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are three shorter (2.81 Å) and one longer (2.83 Å) Au–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two equivalent As3- atoms. Both As–As bond lengths are 2.64 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Au3+ atoms.},

  doi          = {10.17188/1732019},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1732019

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