Materials Data on Er2Mn3Ga by Materials Project

doi:10.17188/1751232

Title: Materials Data on Er2Mn3Ga by Materials Project

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Abstract

Er2Mn3Ga crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, nine equivalent Mn, and three equivalent Ga atoms. There are one shorter (3.13 Å) and three longer (3.30 Å) Er–Er bond lengths. There are three shorter (3.05 Å) and six longer (3.12 Å) Er–Mn bond lengths. All Er–Ga bond lengths are 3.16 Å. Mn is bonded to six equivalent Er, four equivalent Mn, and two equivalent Ga atoms to form distorted MnEr6Mn4Ga2 cuboctahedra that share corners with four equivalent GaEr6Mn6 cuboctahedra, corners with fourteen equivalent MnEr6Mn4Ga2 cuboctahedra, edges with six equivalent MnEr6Mn4Ga2 cuboctahedra, faces with six equivalent GaEr6Mn6 cuboctahedra, and faces with twelve equivalent MnEr6Mn4Ga2 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.82 Å) Mn–Mn bond lengths. Both Mn–Ga bond lengths are 2.67 Å. Ga is bonded to six equivalent Er and six equivalent Mn atoms to form GaEr6Mn6 cuboctahedra that share corners with twelve equivalent MnEr6Mn4Ga2 cuboctahedra, edges with six equivalent GaEr6Mn6 cuboctahedra, faces with two equivalent GaEr6Mn6 cuboctahedra, and faces with eighteen equivalent MnEr6Mn4Ga2 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-06-04

Other Number(s):: mp-1225596

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; Er2Mn3Ga; Er-Ga-Mn

OSTI Identifier:: 1751232

DOI:: https://doi.org/10.17188/1751232

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                    The Materials Project. Materials Data on Er2Mn3Ga by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751232.

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                    The Materials Project. Materials Data on Er2Mn3Ga by Materials Project.  United States.  doi:https://doi.org/10.17188/1751232

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                    The Materials Project. 2020.  
"Materials Data on Er2Mn3Ga by Materials Project".  United States.  doi:https://doi.org/10.17188/1751232.  https://www.osti.gov/servlets/purl/1751232. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1751232,

  title        = {Materials Data on Er2Mn3Ga by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2Mn3Ga crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, nine equivalent Mn, and three equivalent Ga atoms. There are one shorter (3.13 Å) and three longer (3.30 Å) Er–Er bond lengths. There are three shorter (3.05 Å) and six longer (3.12 Å) Er–Mn bond lengths. All Er–Ga bond lengths are 3.16 Å. Mn is bonded to six equivalent Er, four equivalent Mn, and two equivalent Ga atoms to form distorted MnEr6Mn4Ga2 cuboctahedra that share corners with four equivalent GaEr6Mn6 cuboctahedra, corners with fourteen equivalent MnEr6Mn4Ga2 cuboctahedra, edges with six equivalent MnEr6Mn4Ga2 cuboctahedra, faces with six equivalent GaEr6Mn6 cuboctahedra, and faces with twelve equivalent MnEr6Mn4Ga2 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.82 Å) Mn–Mn bond lengths. Both Mn–Ga bond lengths are 2.67 Å. Ga is bonded to six equivalent Er and six equivalent Mn atoms to form GaEr6Mn6 cuboctahedra that share corners with twelve equivalent MnEr6Mn4Ga2 cuboctahedra, edges with six equivalent GaEr6Mn6 cuboctahedra, faces with two equivalent GaEr6Mn6 cuboctahedra, and faces with eighteen equivalent MnEr6Mn4Ga2 cuboctahedra.},

  doi          = {10.17188/1751232},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1751232

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