Materials Data on LiRuRhO4 by Materials Project

doi:10.17188/1748786

Title: Materials Data on LiRuRhO4 by Materials Project

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Abstract

LiRuRhO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent RuO6 octahedra and corners with six equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. There are two shorter (2.00 Å) and two longer (2.02 Å) Li–O bond lengths. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent RuO6 octahedra, and edges with four equivalent RhO6 octahedra. There are two shorter (2.03 Å) and four longer (2.05 Å) Ru–O bond lengths. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent RhO6 octahedra, and edges with four equivalent RuO6 octahedra. There are four shorter (2.07 Å) and two longer (2.08 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Ru4+, and one Rh3+ atom to form a mixture of distorted corner and edge-sharing OLiRu2Rh trigonal pyramids. In the second O2- site, O2- is bondedmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1222456

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; LiRuRhO4; Li-O-Rh-Ru

OSTI Identifier:: 1748786

DOI:: https://doi.org/10.17188/1748786

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                    The Materials Project. Materials Data on LiRuRhO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748786.

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                    The Materials Project. Materials Data on LiRuRhO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748786

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                    The Materials Project. 2020.  
"Materials Data on LiRuRhO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748786.  https://www.osti.gov/servlets/purl/1748786. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1748786,

  title        = {Materials Data on LiRuRhO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiRuRhO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent RuO6 octahedra and corners with six equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. There are two shorter (2.00 Å) and two longer (2.02 Å) Li–O bond lengths. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent RuO6 octahedra, and edges with four equivalent RhO6 octahedra. There are two shorter (2.03 Å) and four longer (2.05 Å) Ru–O bond lengths. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent RhO6 octahedra, and edges with four equivalent RuO6 octahedra. There are four shorter (2.07 Å) and two longer (2.08 Å) Rh–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Ru4+, and one Rh3+ atom to form a mixture of distorted corner and edge-sharing OLiRu2Rh trigonal pyramids. In the second O2- site, O2- is bonded to one Li1+, one Ru4+, and two equivalent Rh3+ atoms to form a mixture of distorted corner and edge-sharing OLiRuRh2 trigonal pyramids.},

  doi          = {10.17188/1748786},

  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/10.17188/1748786

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