Materials Data on RbLiMg6 by Materials Project

doi:10.17188/1674618

Title: Materials Data on RbLiMg6 by Materials Project

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Abstract

RbLiMg6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to two equivalent Li and ten Mg atoms to form a mixture of corner and face-sharing RbLi2Mg10 cuboctahedra. Both Rb–Li bond lengths are 3.25 Å. There are a spread of Rb–Mg bond distances ranging from 3.44–3.63 Å. Li is bonded in a 10-coordinate geometry to two equivalent Rb and eight Mg atoms. There are a spread of Li–Mg bond distances ranging from 3.36–3.41 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Rb, one Li, and eight Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.19–3.43 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to two equivalent Rb, two equivalent Li, and five Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.10–3.36 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Li and six Mg atoms. Both Mg–Mg bond lengths are 3.26 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and eight Mgmore » atoms.« less

Authors:: The Materials Project

Publication Date:: 2017-04-13

Other Number(s):: mp-1021315

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; RbLiMg6; Li-Mg-Rb

OSTI Identifier:: 1674618

DOI:: https://doi.org/10.17188/1674618

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                    The Materials Project. Materials Data on RbLiMg6 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1674618.

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                    The Materials Project. Materials Data on RbLiMg6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674618

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                    The Materials Project. 2017.  
"Materials Data on RbLiMg6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674618.  https://www.osti.gov/servlets/purl/1674618. Pub date:Thu Apr 13 00:00:00 EDT 2017

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@article{osti_1674618,

  title        = {Materials Data on RbLiMg6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbLiMg6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to two equivalent Li and ten Mg atoms to form a mixture of corner and face-sharing RbLi2Mg10 cuboctahedra. Both Rb–Li bond lengths are 3.25 Å. There are a spread of Rb–Mg bond distances ranging from 3.44–3.63 Å. Li is bonded in a 10-coordinate geometry to two equivalent Rb and eight Mg atoms. There are a spread of Li–Mg bond distances ranging from 3.36–3.41 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Rb, one Li, and eight Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.19–3.43 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to two equivalent Rb, two equivalent Li, and five Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.10–3.36 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Li and six Mg atoms. Both Mg–Mg bond lengths are 3.26 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and eight Mg atoms.},

  doi          = {10.17188/1674618},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1674618

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