Materials Data on RbLiCrO4 by Materials Project

doi:10.17188/1193422

Title: Materials Data on RbLiCrO4 by Materials Project

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Abstract

RbLiCrO4 crystallizes in the trigonal P31c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.19 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent CrO4 tetrahedra. There is one shorter (1.96 Å) and three longer (1.97 Å) Li–O bond length. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. All Cr–O bond lengths are 1.67 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Li1+, and one Cr6+ atom. In the second O2- site, O2- is bonded in a linear geometry to three equivalent Rb1+, one Li1+, and one Cr6+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-18741

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; RbLiCrO4; Cr-Li-O-Rb

OSTI Identifier:: 1193422

DOI:: https://doi.org/10.17188/1193422

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                    The Materials Project. Materials Data on RbLiCrO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193422.

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                    The Materials Project. Materials Data on RbLiCrO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193422

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                    The Materials Project. 2020.  
"Materials Data on RbLiCrO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193422.  https://www.osti.gov/servlets/purl/1193422. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1193422,

  title        = {Materials Data on RbLiCrO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbLiCrO4 crystallizes in the trigonal P31c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.19 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent CrO4 tetrahedra. There is one shorter (1.96 Å) and three longer (1.97 Å) Li–O bond length. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. All Cr–O bond lengths are 1.67 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Li1+, and one Cr6+ atom. In the second O2- site, O2- is bonded in a linear geometry to three equivalent Rb1+, one Li1+, and one Cr6+ atom.},

  doi          = {10.17188/1193422},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193422

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