Materials Data on Lu(MnGa)6 by Materials Project

doi:10.17188/1704141

Title: Materials Data on Lu(MnGa)6 by Materials Project

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Abstract

Lu(MnGa)6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight Mn and twelve Ga atoms. There are four shorter (3.14 Å) and four longer (3.32 Å) Lu–Mn bond lengths. There are eight shorter (3.21 Å) and four longer (3.42 Å) Lu–Ga bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Lu, four equivalent Mn, and four equivalent Ga atoms. All Mn–Mn bond lengths are 2.69 Å. All Mn–Ga bond lengths are 2.46 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to one Lu, seven Mn, and six Ga atoms. There are a spread of Mn–Mn bond distances ranging from 2.62–3.10 Å. There are a spread of Mn–Ga bond distances ranging from 2.57–2.79 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Lu, four equivalent Mn, and six Ga atoms to form a mixture of distorted face and corner-sharing GaLu2Mn4Ga6 cuboctahedra. There are two shorter (2.42 Å) and four longer (2.61 Å) Ga–Ga bond lengths. In the second Ga site, Ga ismore »« less

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-1222429

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; Lu(MnGa)6; Ga-Lu-Mn

OSTI Identifier:: 1704141

DOI:: https://doi.org/10.17188/1704141

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                    The Materials Project. Materials Data on Lu(MnGa)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1704141.

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                    The Materials Project. Materials Data on Lu(MnGa)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1704141

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                    The Materials Project. 2020.  
"Materials Data on Lu(MnGa)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1704141.  https://www.osti.gov/servlets/purl/1704141. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1704141,

  title        = {Materials Data on Lu(MnGa)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu(MnGa)6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight Mn and twelve Ga atoms. There are four shorter (3.14 Å) and four longer (3.32 Å) Lu–Mn bond lengths. There are eight shorter (3.21 Å) and four longer (3.42 Å) Lu–Ga bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Lu, four equivalent Mn, and four equivalent Ga atoms. All Mn–Mn bond lengths are 2.69 Å. All Mn–Ga bond lengths are 2.46 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to one Lu, seven Mn, and six Ga atoms. There are a spread of Mn–Mn bond distances ranging from 2.62–3.10 Å. There are a spread of Mn–Ga bond distances ranging from 2.57–2.79 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Lu, four equivalent Mn, and six Ga atoms to form a mixture of distorted face and corner-sharing GaLu2Mn4Ga6 cuboctahedra. There are two shorter (2.42 Å) and four longer (2.61 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Lu, six Mn, and four Ga atoms. There are one shorter (2.91 Å) and one longer (3.06 Å) Ga–Ga bond lengths.},

  doi          = {10.17188/1704141},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1704141

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