Materials Data on Ba2TmReO6 by Materials Project

doi:10.17188/1189823

Title: Materials Data on Ba2TmReO6 by Materials Project

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Abstract

Ba2TmReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent TmO6 octahedra, and faces with four equivalent ReO6 octahedra. All Ba–O bond lengths are 2.98 Å. Tm3+ is bonded to six equivalent O2- atoms to form TmO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–O bond lengths are 2.21 Å. Re5+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent TmO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Tm3+, and one Re5+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-13934

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; Ba2TmReO6; Ba-O-Re-Tm

OSTI Identifier:: 1189823

DOI:: https://doi.org/10.17188/1189823

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                    The Materials Project. Materials Data on Ba2TmReO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189823.

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                    The Materials Project. Materials Data on Ba2TmReO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189823

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                    The Materials Project. 2020.  
"Materials Data on Ba2TmReO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189823.  https://www.osti.gov/servlets/purl/1189823. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189823,

  title        = {Materials Data on Ba2TmReO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2TmReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent TmO6 octahedra, and faces with four equivalent ReO6 octahedra. All Ba–O bond lengths are 2.98 Å. Tm3+ is bonded to six equivalent O2- atoms to form TmO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–O bond lengths are 2.21 Å. Re5+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent TmO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Tm3+, and one Re5+ atom.},

  doi          = {10.17188/1189823},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189823

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