Materials Data on Mn(GaSe2)2 by Materials Project

doi:10.17188/1195392

Title: Materials Data on Mn(GaSe2)2 by Materials Project

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Abstract

MnGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Mn–Se bond lengths are 2.54 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Mn2+ and two Ga3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-20261

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; Mn(GaSe2)2; Ga-Mn-Se

OSTI Identifier:: 1195392

DOI:: https://doi.org/10.17188/1195392

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                    The Materials Project. Materials Data on Mn(GaSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195392.

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                    The Materials Project. Materials Data on Mn(GaSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195392

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                    The Materials Project. 2020.  
"Materials Data on Mn(GaSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195392.  https://www.osti.gov/servlets/purl/1195392. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195392,

  title        = {Materials Data on Mn(GaSe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Mn–Se bond lengths are 2.54 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Mn2+ and two Ga3+ atoms.},

  doi          = {10.17188/1195392},

  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/10.17188/1195392

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