Materials Data on SmMgF4 by Materials Project

doi:10.17188/1313320

Title: Materials Data on SmMgF4 by Materials Project

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Abstract

MgSmF4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded to six F1- atoms to form distorted corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There are a spread of Mg–F bond distances ranging from 1.91–2.25 Å. Sm2+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Sm–F bond lengths are 2.45 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mg2+ atoms. In the second F1- site, F1- is bonded to one Mg2+ and three equivalent Sm2+ atoms to form a mixture of corner and edge-sharing FSm3Mg tetrahedra. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mg2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-9540

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; SmMgF4; F-Mg-Sm

OSTI Identifier:: 1313320

DOI:: https://doi.org/10.17188/1313320

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                    The Materials Project. Materials Data on SmMgF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313320.

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                    The Materials Project. Materials Data on SmMgF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313320

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                    The Materials Project. 2020.  
"Materials Data on SmMgF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313320.  https://www.osti.gov/servlets/purl/1313320. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1313320,

  title        = {Materials Data on SmMgF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgSmF4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded to six F1- atoms to form distorted corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There are a spread of Mg–F bond distances ranging from 1.91–2.25 Å. Sm2+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Sm–F bond lengths are 2.45 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mg2+ atoms. In the second F1- site, F1- is bonded to one Mg2+ and three equivalent Sm2+ atoms to form a mixture of corner and edge-sharing FSm3Mg tetrahedra. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mg2+ atoms.},

  doi          = {10.17188/1313320},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1313320

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