Materials Data on Pr2MgS4 by Materials Project

doi:10.17188/1683013

Title: Materials Data on Pr2MgS4 by Materials Project

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Abstract

MgPr2S4 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 PrS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–S bond lengths are 2.55 Å. Pr3+ is bonded to six equivalent S2- atoms to form PrS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent PrS6 octahedra. All Pr–S bond lengths are 2.87 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Pr3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1232114

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; Pr2MgS4; Mg-Pr-S

OSTI Identifier:: 1683013

DOI:: https://doi.org/10.17188/1683013

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                    The Materials Project. Materials Data on Pr2MgS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683013.

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                    The Materials Project. Materials Data on Pr2MgS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683013

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                    The Materials Project. 2020.  
"Materials Data on Pr2MgS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683013.  https://www.osti.gov/servlets/purl/1683013. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1683013,

  title        = {Materials Data on Pr2MgS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgPr2S4 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 PrS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–S bond lengths are 2.55 Å. Pr3+ is bonded to six equivalent S2- atoms to form PrS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent PrS6 octahedra. All Pr–S bond lengths are 2.87 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Pr3+ atoms.},

  doi          = {10.17188/1683013},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1683013

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Materials Data on Pr2MgS4 by Materials Project

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