Materials Data on La2MnFeSe2O3 by Materials Project

doi:10.17188/1753000

Title: Materials Data on La2MnFeSe2O3 by Materials Project

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Abstract

La2MnFeSe2O3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.38 Å. There are two shorter (2.39 Å) and two longer (2.41 Å) La–O bond lengths. Mn2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Mn–Se bond lengths are 2.83 Å. Both Mn–O bond lengths are 2.07 Å. Fe2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Fe–Se bond lengths are 2.81 Å. Both Fe–O bond lengths are 2.10 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent La3+, two equivalent Mn2+, and two equivalent Fe2+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Mn2+ and two equivalent Fe2+ atoms. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1223250

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; La2MnFeSe2O3; Fe-La-Mn-O-Se

OSTI Identifier:: 1753000

DOI:: https://doi.org/10.17188/1753000

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                    The Materials Project. Materials Data on La2MnFeSe2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753000.

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                    The Materials Project. Materials Data on La2MnFeSe2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753000

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                    The Materials Project. 2020.  
"Materials Data on La2MnFeSe2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753000.  https://www.osti.gov/servlets/purl/1753000. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1753000,

  title        = {Materials Data on La2MnFeSe2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2MnFeSe2O3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.38 Å. There are two shorter (2.39 Å) and two longer (2.41 Å) La–O bond lengths. Mn2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Mn–Se bond lengths are 2.83 Å. Both Mn–O bond lengths are 2.07 Å. Fe2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Fe–Se bond lengths are 2.81 Å. Both Fe–O bond lengths are 2.10 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent La3+, two equivalent Mn2+, and two equivalent Fe2+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Mn2+ and two equivalent Fe2+ atoms. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},

  doi          = {10.17188/1753000},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1753000

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