Materials Data on RbLiMoO5 by Materials Project

doi:10.17188/1731931

Title: Materials Data on RbLiMoO5 by Materials Project

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Abstract

RbLiMoO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.27 Å. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent MoO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.12 Å. Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.77–1.82 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Rb and one Mo atom. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent Rb, one Li, and one Mo atom. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one Li, and one Mo atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb, one Li, and one Mo atom. In the fifth O site, O is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1204616

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; RbLiMoO5; Li-Mo-O-Rb

OSTI Identifier:: 1731931

DOI:: https://doi.org/10.17188/1731931

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                    The Materials Project. Materials Data on RbLiMoO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731931.

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                    The Materials Project. Materials Data on RbLiMoO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731931

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                    The Materials Project. 2020.  
"Materials Data on RbLiMoO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731931.  https://www.osti.gov/servlets/purl/1731931. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1731931,

  title        = {Materials Data on RbLiMoO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbLiMoO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.27 Å. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent MoO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.12 Å. Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.77–1.82 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Rb and one Mo atom. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent Rb, one Li, and one Mo atom. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one Li, and one Mo atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb, one Li, and one Mo atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Li atom.},

  doi          = {10.17188/1731931},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1731931

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