Materials Data on La2MgS4 by Materials Project

doi:10.17188/1678289

Title: Materials Data on La2MgS4 by Materials Project

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Abstract

MgLa2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent S2- atoms to form MgS4 tetrahedra that share corners with twelve equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–S bond lengths are 2.57 Å. La3+ is bonded to six equivalent S2- atoms to form LaS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent LaS6 octahedra. All La–S bond lengths are 2.89 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent La3+ atoms.

Publication Date:: Wed Apr 29 04:00:00 UTC 2020

Other Number(s):: mp-1232281

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; La-Mg-S; La2MgS4; crystal structure

OSTI Identifier:: 1678289

DOI:: https://doi.org/10.17188/1678289

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                    Materials Data on La2MgS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678289.

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                    Materials Data on La2MgS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678289

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                    2020.  
"Materials Data on La2MgS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678289.  https://www.osti.gov/servlets/purl/1678289. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1678289,

  title        = {Materials Data on La2MgS4 by Materials Project},

  
  abstractNote = {MgLa2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent S2- atoms to form MgS4 tetrahedra that share corners with twelve equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–S bond lengths are 2.57 Å. La3+ is bonded to six equivalent S2- atoms to form LaS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent LaS6 octahedra. All La–S bond lengths are 2.89 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent La3+ atoms.},

  doi          = {10.17188/1678289},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 04:00:00 UTC 2020},

  month        = {Wed Apr 29 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1678289

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Materials Data on La2MgS4 by Materials Project

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MgLa2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to five S2- atoms to form MgS5 square pyramids that share corners with four LaS6 octahedra, edges with four LaS6 octahedra, and edges with four equivalent MgS5 square pyramids. The corner-sharing octahedra tilt angles range from 5–6°. There are a spread of Mg–S bond distances ranging from 2.52–2.70 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six S2- atoms to form LaS6 octahedra that share corners with three equivalent LaS6 octahedra, corners with two equivalent MgS5 squaremore »« less
Materials Data on La2MgS4 by Materials Project

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MgLa2S4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form MgS4 tetrahedra that share corners with six LaS6 octahedra and edges with three LaS6 octahedra. The corner-sharing octahedra tilt angles range from 60–62°. There are a spread of Mg–S bond distances ranging from 2.42–2.49 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six S2- atoms to form LaS6 octahedra that share corners with four equivalent LaS6 octahedra, corners with two equivalent MgS4 tetrahedra, edges with four LaS6more »« less
Materials Data on La2MgS4 by Materials Project

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MgLa2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a trigonal pyramidal geometry to four S2- atoms. There are a spread of Mg–S bond distances ranging from 2.33–2.42 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.27 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of La–S bond distances ranging from 2.73–3.06 Å. There aremore »« less
Materials Data on La2MgS4 by Materials Project

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Materials Data on La2MgS4 by Materials Project

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