Materials Data on MnCuAs by Materials Project

doi:10.17188/1195254

Title: Materials Data on MnCuAs by Materials Project

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Abstract

CuMnAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent As3- atoms to form distorted MnAs5 trigonal bipyramids that share corners with eight equivalent CuAs4 tetrahedra, corners with eight equivalent MnAs5 trigonal bipyramids, edges with six equivalent CuAs4 tetrahedra, and edges with six equivalent MnAs5 trigonal bipyramids. There are a spread of Mn–As bond distances ranging from 2.60–2.72 Å. Cu1+ is bonded to four equivalent As3- atoms to form distorted CuAs4 tetrahedra that share corners with eight equivalent CuAs4 tetrahedra, corners with eight equivalent MnAs5 trigonal bipyramids, edges with two equivalent CuAs4 tetrahedra, and edges with six equivalent MnAs5 trigonal bipyramids. There are a spread of Cu–As bond distances ranging from 2.41–2.50 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-20107

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; MnCuAs; As-Cu-Mn

OSTI Identifier:: 1195254

DOI:: https://doi.org/10.17188/1195254

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                    The Materials Project. Materials Data on MnCuAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195254.

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                    The Materials Project. Materials Data on MnCuAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1195254

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                    The Materials Project. 2020.  
"Materials Data on MnCuAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1195254.  https://www.osti.gov/servlets/purl/1195254. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195254,

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

  author       = {The Materials Project},

  abstractNote = {CuMnAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent As3- atoms to form distorted MnAs5 trigonal bipyramids that share corners with eight equivalent CuAs4 tetrahedra, corners with eight equivalent MnAs5 trigonal bipyramids, edges with six equivalent CuAs4 tetrahedra, and edges with six equivalent MnAs5 trigonal bipyramids. There are a spread of Mn–As bond distances ranging from 2.60–2.72 Å. Cu1+ is bonded to four equivalent As3- atoms to form distorted CuAs4 tetrahedra that share corners with eight equivalent CuAs4 tetrahedra, corners with eight equivalent MnAs5 trigonal bipyramids, edges with two equivalent CuAs4 tetrahedra, and edges with six equivalent MnAs5 trigonal bipyramids. There are a spread of Cu–As bond distances ranging from 2.41–2.50 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Cu1+ atoms.},

  doi          = {10.17188/1195254},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195254

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