Materials Data on SmAs2Au by Materials Project

doi:10.17188/1753937

Title: Materials Data on SmAs2Au by Materials Project

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Abstract

SmAuAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Sm–As bond distances ranging from 3.00–3.20 Å. In the second Sm3+ site, 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. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded to four As3- atoms to form a mixture of distorted edge and corner-sharing AuAs4 tetrahedra. There are two shorter (2.80 Å) and two longer (2.81 Å) Au–As bond lengths. In the second Au3+ site, Au3+ is bonded to four As3- atoms to form a mixture of distorted edge and corner-sharing AuAs4 tetrahedra. There are two shorter (2.79 Å) and two longer (2.82 Å) Au–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four Sm3+ and four Au3+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four Sm3+ and four Au3+ atoms. In themore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1179432

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:: 1753937

DOI:: https://doi.org/10.17188/1753937

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                    The Materials Project. Materials Data on SmAs2Au by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1753937.

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                    The Materials Project. Materials Data on SmAs2Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1753937

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                    The Materials Project. 2019.  
"Materials Data on SmAs2Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1753937.  https://www.osti.gov/servlets/purl/1753937. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1753937,

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

  author       = {The Materials Project},

  abstractNote = {SmAuAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Sm–As bond distances ranging from 3.00–3.20 Å. In the second Sm3+ site, 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. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded to four As3- atoms to form a mixture of distorted edge and corner-sharing AuAs4 tetrahedra. There are two shorter (2.80 Å) and two longer (2.81 Å) Au–As bond lengths. In the second Au3+ site, Au3+ is bonded to four As3- atoms to form a mixture of distorted edge and corner-sharing AuAs4 tetrahedra. There are two shorter (2.79 Å) and two longer (2.82 Å) Au–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four Sm3+ and four Au3+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four Sm3+ and four Au3+ atoms. In the third As3- site, As3- is bonded in a 7-coordinate geometry to four Sm3+ and three equivalent As3- atoms. There are a spread of As–As bond distances ranging from 2.59–2.98 Å.},

  doi          = {10.17188/1753937},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1753937

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Materials Data on SmAs2Au by Materials Project

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