Materials Data on Ce(SiAu2)2 by Materials Project

doi:10.17188/1275124

Title: Materials Data on Ce(SiAu2)2 by Materials Project

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Abstract

CeAu4Si2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two CeAu4Si2 sheets oriented in the (0, 1, 0) direction. Ce4+ is bonded to eight Au1- atoms to form distorted edge-sharing CeAu8 hexagonal bipyramids. There are four shorter (3.26 Å) and four longer (3.27 Å) Ce–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.52 Å. In the second Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.52 Å. Si is bonded in a 5-coordinate geometry to four Au1- and one Si atom. The Si–Si bond length is 2.35 Å.

Publication Date:: 2020-07-16

Other Number(s):: mp-569496

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Au-Ce-Si; Ce(SiAu2)2; crystal structure

OSTI Identifier:: 1275124

DOI:: https://doi.org/10.17188/1275124

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                    Materials Data on Ce(SiAu2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275124.

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                    Materials Data on Ce(SiAu2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275124

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                    2020.  
"Materials Data on Ce(SiAu2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275124.  https://www.osti.gov/servlets/purl/1275124. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1275124,

  title        = {Materials Data on Ce(SiAu2)2 by Materials Project},

  
  abstractNote = {CeAu4Si2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two CeAu4Si2 sheets oriented in the (0, 1, 0) direction. Ce4+ is bonded to eight Au1- atoms to form distorted edge-sharing CeAu8 hexagonal bipyramids. There are four shorter (3.26 Å) and four longer (3.27 Å) Ce–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.52 Å. In the second Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.52 Å. Si is bonded in a 5-coordinate geometry to four Au1- and one Si atom. The Si–Si bond length is 2.35 Å.},

  doi          = {10.17188/1275124},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275124

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