Materials Data on RbMg6Al by Materials Project

doi:10.17188/1672181

Title: Materials Data on RbMg6Al by Materials Project

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Abstract

RbMg6Al crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Al atoms to form a mixture of corner and face-sharing RbMg10Al2 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.38–3.45 Å. Both Rb–Al bond lengths are 3.50 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Rb, seven Mg, and one Al atom. There are a spread of Mg–Mg bond distances ranging from 3.19–3.37 Å. The Mg–Al bond length is 3.22 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to two equivalent Rb, five Mg, and two equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.03–3.27 Å. Both Mg–Al bond lengths are 3.10 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and two equivalent Al atoms. Both Mg–Al bond lengths are 3.34 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and six Mg atoms. Al is bonded in a 10-coordinate geometry to two equivalent Rb andmore » eight Mg atoms.« less

Authors:: The Materials Project

Publication Date:: 2017-04-20

Other Number(s):: mp-1023300

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; RbMg6Al; Al-Mg-Rb

OSTI Identifier:: 1672181

DOI:: https://doi.org/10.17188/1672181

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                    The Materials Project. Materials Data on RbMg6Al by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1672181.

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                    The Materials Project. Materials Data on RbMg6Al by Materials Project.  United States.  doi:https://doi.org/10.17188/1672181

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                    The Materials Project. 2017.  
"Materials Data on RbMg6Al by Materials Project".  United States.  doi:https://doi.org/10.17188/1672181.  https://www.osti.gov/servlets/purl/1672181. Pub date:Thu Apr 20 00:00:00 EDT 2017

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@article{osti_1672181,

  title        = {Materials Data on RbMg6Al by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbMg6Al crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Al atoms to form a mixture of corner and face-sharing RbMg10Al2 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.38–3.45 Å. Both Rb–Al bond lengths are 3.50 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Rb, seven Mg, and one Al atom. There are a spread of Mg–Mg bond distances ranging from 3.19–3.37 Å. The Mg–Al bond length is 3.22 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to two equivalent Rb, five Mg, and two equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.03–3.27 Å. Both Mg–Al bond lengths are 3.10 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and two equivalent Al atoms. Both Mg–Al bond lengths are 3.34 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and six Mg atoms. Al is bonded in a 10-coordinate geometry to two equivalent Rb and eight Mg atoms.},

  doi          = {10.17188/1672181},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1672181

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