Materials Data on LaBi2Au by Materials Project

doi:10.17188/1677989

Title: Materials Data on LaBi2Au by Materials Project

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Abstract

LaAuBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded to four equivalent Au and eight Bi atoms to form a mixture of corner, edge, and face-sharing LaBi8Au4 cuboctahedra. All La–Au bond lengths are 3.35 Å. There are four shorter (3.38 Å) and four longer (3.60 Å) La–Bi bond lengths. Au is bonded in a distorted body-centered cubic geometry to four equivalent La and four equivalent Bi atoms. All Au–Bi bond lengths are 3.03 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Au atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.35 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1078401

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; LaBi2Au; Au-Bi-La

OSTI Identifier:: 1677989

DOI:: https://doi.org/10.17188/1677989

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                    The Materials Project. Materials Data on LaBi2Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677989.

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                    The Materials Project. Materials Data on LaBi2Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1677989

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                    The Materials Project. 2020.  
"Materials Data on LaBi2Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1677989.  https://www.osti.gov/servlets/purl/1677989. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1677989,

  title        = {Materials Data on LaBi2Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaAuBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded to four equivalent Au and eight Bi atoms to form a mixture of corner, edge, and face-sharing LaBi8Au4 cuboctahedra. All La–Au bond lengths are 3.35 Å. There are four shorter (3.38 Å) and four longer (3.60 Å) La–Bi bond lengths. Au is bonded in a distorted body-centered cubic geometry to four equivalent La and four equivalent Bi atoms. All Au–Bi bond lengths are 3.03 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Au atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.35 Å.},

  doi          = {10.17188/1677989},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677989

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