Materials Data on Er(MnGa)6 by Materials Project

doi:10.17188/1676473

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

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Abstract

Er(MnGa)6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight Mn and twelve Ga atoms. There are four shorter (3.12 Å) and four longer (3.35 Å) Er–Mn bond lengths. There are eight shorter (3.31 Å) and four longer (3.42 Å) Er–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 Er, four equivalent Mn, and four equivalent Ga atoms. All Mn–Mn bond lengths are 2.71 Å. All Mn–Ga bond lengths are 2.46 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to one Er, three Mn, and six Ga atoms. The Mn–Mn bond length is 2.69 Å. There are a spread of Mn–Ga bond distances ranging from 2.53–2.68 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Er, four equivalent Mn, and six Ga atoms to form a mixture of distorted face and corner-sharing GaEr2Mn4Ga6 cuboctahedra. There are two shorter (2.44 Å) and four longer (2.63 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometrymore »« less

Authors:: The Materials Project

Publication Date:: Sun Jan 13 00:00:00 EST 2019

Other Number(s):: mp-1225156

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

OSTI Identifier:: 1676473

DOI:: https://doi.org/10.17188/1676473

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                    The Materials Project. Materials Data on Er(MnGa)6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1676473.

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                    The Materials Project. Materials Data on Er(MnGa)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676473

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                    The Materials Project. 2019.  
"Materials Data on Er(MnGa)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676473.  https://www.osti.gov/servlets/purl/1676473. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1676473,

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

  author       = {The Materials Project},

  abstractNote = {Er(MnGa)6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight Mn and twelve Ga atoms. There are four shorter (3.12 Å) and four longer (3.35 Å) Er–Mn bond lengths. There are eight shorter (3.31 Å) and four longer (3.42 Å) Er–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 Er, four equivalent Mn, and four equivalent Ga atoms. All Mn–Mn bond lengths are 2.71 Å. All Mn–Ga bond lengths are 2.46 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to one Er, three Mn, and six Ga atoms. The Mn–Mn bond length is 2.69 Å. There are a spread of Mn–Ga bond distances ranging from 2.53–2.68 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Er, four equivalent Mn, and six Ga atoms to form a mixture of distorted face and corner-sharing GaEr2Mn4Ga6 cuboctahedra. There are two shorter (2.44 Å) and four longer (2.63 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, six Mn, and two equivalent Ga atoms.},

  doi          = {10.17188/1676473},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Jan 13 00:00:00 EST 2019},

  month        = {Sun Jan 13 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1676473

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