Materials Data on La3Mn2Sb3O14 by Materials Project

doi:10.17188/1675885

Title: Materials Data on La3Mn2Sb3O14 by Materials Project

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Abstract

La3Mn2Sb3O14 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.69 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mn–O bond lengths are 2.21 Å. In the second Mn2+ site, Mn2+ is bonded to eight O2- atoms to form distorted MnO8 hexagonal bipyramids that share edges with six equivalent SbO6 octahedra. There are two shorter (2.06 Å) and six longer (2.67 Å) Mn–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent MnO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–55°. There are two shorter (1.97 Å) and four longer (2.04 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+, one Mn2+, and one Sb5+more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1191110

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; La3Mn2Sb3O14; La-Mn-O-Sb

OSTI Identifier:: 1675885

DOI:: https://doi.org/10.17188/1675885

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                    The Materials Project. Materials Data on La3Mn2Sb3O14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675885.

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                    The Materials Project. Materials Data on La3Mn2Sb3O14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675885

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                    The Materials Project. 2020.  
"Materials Data on La3Mn2Sb3O14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675885.  https://www.osti.gov/servlets/purl/1675885. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1675885,

  title        = {Materials Data on La3Mn2Sb3O14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3Mn2Sb3O14 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.69 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mn–O bond lengths are 2.21 Å. In the second Mn2+ site, Mn2+ is bonded to eight O2- atoms to form distorted MnO8 hexagonal bipyramids that share edges with six equivalent SbO6 octahedra. There are two shorter (2.06 Å) and six longer (2.67 Å) Mn–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent MnO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–55°. There are two shorter (1.97 Å) and four longer (2.04 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+, one Mn2+, and one Sb5+ atom to form a mixture of distorted corner and edge-sharing OLa2MnSb tetrahedra. In the second O2- site, O2- is bonded to three equivalent La3+ and one Mn2+ atom to form OLa3Mn tetrahedra that share corners with ten OLa3Mn tetrahedra and edges with three equivalent OLa2MnSb tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, one Mn2+, and two equivalent Sb5+ atoms.},

  doi          = {10.17188/1675885},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1675885

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