Materials Data on Tl2Ru2O7 by Materials Project

doi:10.17188/1197345

Title: Materials Data on Tl2Ru2O7 by Materials Project

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Abstract

Tl2Ru2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ru6+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and edges with six equivalent TlO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. All Ru–O bond lengths are 1.98 Å. Tl1+ is bonded to eight O2- atoms to form distorted TlO8 hexagonal bipyramids that share edges with six equivalent TlO8 hexagonal bipyramids and edges with six equivalent RuO6 octahedra. There are two shorter (2.25 Å) and six longer (2.61 Å) Tl–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tl1+ atoms to form corner-sharing OTl4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ru6+ and two equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-22094

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; Tl2Ru2O7; O-Ru-Tl

OSTI Identifier:: 1197345

DOI:: https://doi.org/10.17188/1197345

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                    The Materials Project. Materials Data on Tl2Ru2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197345.

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                    The Materials Project. Materials Data on Tl2Ru2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197345

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                    The Materials Project. 2020.  
"Materials Data on Tl2Ru2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197345.  https://www.osti.gov/servlets/purl/1197345. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1197345,

  title        = {Materials Data on Tl2Ru2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl2Ru2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ru6+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and edges with six equivalent TlO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. All Ru–O bond lengths are 1.98 Å. Tl1+ is bonded to eight O2- atoms to form distorted TlO8 hexagonal bipyramids that share edges with six equivalent TlO8 hexagonal bipyramids and edges with six equivalent RuO6 octahedra. There are two shorter (2.25 Å) and six longer (2.61 Å) Tl–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tl1+ atoms to form corner-sharing OTl4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ru6+ and two equivalent Tl1+ atoms.},

  doi          = {10.17188/1197345},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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