Materials Data on Sr2MgReO6 by Materials Project

doi:10.17188/1729308

Title: Materials Data on Sr2MgReO6 by Materials Project

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Abstract

Sr2MgReO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MgO6 octahedra, and faces with four equivalent ReO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.65–3.01 Å. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–15°. All Mg–O bond lengths are 2.07 Å. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–15°. There is four shorter (1.94 Å) and two longer (1.95 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Mg2+, and one Re6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Mg2+, andmore » one Re6+ atom.« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1078868

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; Sr2MgReO6; Mg-O-Re-Sr

OSTI Identifier:: 1729308

DOI:: https://doi.org/10.17188/1729308

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                    The Materials Project. Materials Data on Sr2MgReO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729308.

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                    The Materials Project. Materials Data on Sr2MgReO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729308

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                    The Materials Project. 2020.  
"Materials Data on Sr2MgReO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729308.  https://www.osti.gov/servlets/purl/1729308. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1729308,

  title        = {Materials Data on Sr2MgReO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2MgReO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MgO6 octahedra, and faces with four equivalent ReO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.65–3.01 Å. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–15°. All Mg–O bond lengths are 2.07 Å. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–15°. There is four shorter (1.94 Å) and two longer (1.95 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Mg2+, and one Re6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Mg2+, and one Re6+ atom.},

  doi          = {10.17188/1729308},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1729308

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