Materials Data on SmAs2Au by Materials Project

doi:10.17188/1315994

Title: Materials Data on SmAs2Au by Materials Project

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Abstract

SmAuAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Sm–As bond distances ranging from 3.00–3.21 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are a spread of Au–As bond distances ranging from 2.81–2.84 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and two equivalent As3- atoms. Both As–As bond lengths are 2.65 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Au3+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-978809

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; SmAs2Au; As-Au-Sm

OSTI Identifier:: 1315994

DOI:: https://doi.org/10.17188/1315994

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                    The Materials Project. Materials Data on SmAs2Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315994.

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                    The Materials Project. Materials Data on SmAs2Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1315994

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                    The Materials Project. 2020.  
"Materials Data on SmAs2Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1315994.  https://www.osti.gov/servlets/purl/1315994. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1315994,

  title        = {Materials Data on SmAs2Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmAuAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Sm–As bond distances ranging from 3.00–3.21 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are a spread of Au–As bond distances ranging from 2.81–2.84 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and two equivalent As3- atoms. Both As–As bond lengths are 2.65 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Au3+ atoms.},

  doi          = {10.17188/1315994},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1315994

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